United States      Solid Waste and     EPA530-D-99-001B
           Environmental Protection  Emergency Response    August 1999
           Agency        (5305W)        www.epa.gov/osw
v>EPA     Screening Level Ecological
           Risk Assessment Protocol
           for Hazardous Waste
           Combustion

           Volume Two
           Appendix A
              Peer Review Draft
                     Printed on paper that contains at least 20 percent postconsumer fiber

-------
                             APPENDIX A

                       CHEMICAL-SPECIFIC DATA

               Screening Level Ecological Risk Assessment Protocol

                              August 1999
A-l        CHEMICALS FOR CONSIDERATION AS COMPOUNDS OF
           POTENTIAL CONCERN
A-2        COMPOUND SPECIFIC PARAMETER VALUES

-------
                APPENDIX A-l




INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                       (Page 1 of 30)
CAS Number
50-00-0
50-06-6
50-07-7
50-18-0
50-29-3
50-32-8
50-55-5
51-28-5
51-43-4
51-52-5
51-79-6
52-85-7
53-70-3
53-96-3
54-11-5
55-18-5
55-38-9
55-63-0
55-91-4
56-04-2

Compound Name
Formaldehyde (methylene oxide)
Phenobarbital
Mitomycin
Cyclophosphamide
4,4'-DDT
Benzo(a)pyrene
Reserpine
2,4-Dinitrophenol
Epinephrine
Propylthiouracil
Ethyl carbamate (urethane)
Famphur
Dibenzo(a,h)anthracene
2-Acetylaminofluorene
Nicotine
Nitrosodiethylamine
Fenthion
Nitroglycerine
Diisopropylfluorophosphate (DFP)
Methylthiouracil

o x
sl
.3 
"8 &K
 < K?
at
. N 0
IIs
gg
o o
K009, K010, K038, K040, K156, K157




F032, F034, F037, F038, K001, K022, K035, K141,
K142, K144, K145, K147, K148

K001




F032, F034, K022, K141, K142, K144, K145, K147,
K148








Chemical-Specific Data
Available
X



X
X

X




X








PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)
X




X















U.S. EPA Recommended
and Potential PICs
(1994b)
X




X

X


X

X








PICs in Stack Emissions
Actually Detected





X















Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-1

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 2 of 30)
CAS Number
56-23-5
56-38-2
56-49-5
56-53-1
56-55-3
56-57-5
56-72-4
57-12-5
57-14-7
57-24-9
57-41-0
57-57-8
57-74-9
57-97-6
58-89-9
58-89-9
58-90-2
59-50-7
59-89-2
60-09-3
60-11-7
Compound Name
Carbon tetrachloride
Parathion
3-Methylcholanthrene
Diethylstilbestrol
Benzo(a)anthracene
Nitroquinoline- 1-oxide
Coumaphos
Cyanide
1,1-Dimethyl hydrazine
Strychnine
5,5-Diphenylhydantoin
beta-Propiolactone
Chlordane
7, 12-Dimethylbenz(a)anthracene
gamma-BHC (Lindane)
Lindane (all isomers)
2,3,4,6-Tetrachlorophenol
4-Chloro-3-methylphenol (p-chloro-m-cresol)
N-Nitrosomorpholine
Aminoazobenzene
Dimethyl aminoazobenzene
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o o
F001, F024, F025, K016, K019, K020, K021, K073,
K116, K150, K151, K157



F032, F034, K001, K022, K035, K141, K142, K143,
K144, K145, K147, K148



K107, K108, K109, K110



K097



F020, F023, F027, F028, K001
F004, K001



Chemical-Specific Data
Available
X



X


X

X


X



X




PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)
X



X
















U.S. EPA Recommended
and Potential PICs
(1994b)
X



X




X


X


X




X
PICs in Stack Emissions
Actually Detected
X






X













Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-2

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 3 of 30)
CAS Number
60-34-4
60-35-5
60-51-5
60-57-1
61-82-5
62-38-4
62-44-2
62-50-0
62-53-3
62-55-5
62-56-6
62-73-7
62-74-8
62-75-9
63-25-2
64-17-5
64-18-6
64-64-7
64-67-5
65-85-0
66-27-3
66-75-1
Compound Name
Methyl hydrazine
Acetamide
Dimethoate
Dieldrin
Amitrole
Phenylmercury acetate
Phenacetin
Ethyl methanesulfonate
Aniline
Thioacetamide
Thiourea
Dichlorovos
Fluoroacetic acid, sodium salt
N-Nitrosodimethylamine
Carbaryl
Ethanol
Formic acid (methanoic acid)
Di-n-propylnitrosamine
Diethyl sulfate
Benzoic acid
Methyl methanesulfonate
Uracil mustard
o x
sl
.3 
"8 SB
 < K?
at
% n o
IIs
g
o o








K083, K103, K104, K112, K113





K156

K009, K010





Chemical-Specific Data
Available



X



X
X


X




X


X


PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)






















U.S. EPA Recommended
and Potential PICs
(1994b)







X
X







X
X




PICs in Stack Emissions
Actually Detected



















X


Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-3

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 4 of 30)
CAS Number
67-56-1
67-64-1
67-66-3
67-72-1
68-12-2
70-25-7
70-30-4
71-43-2
71-55-6
72-20-8
72-33-3
72-43-5
72-54-8
72-55-9
72-57-1
74-83-9
74-87-3
74-88-4
74-90-8
Compound Name
Methanol
Acetone
Chloroform (trichloromethane)
Hexachloroethane (perchloroethane)
Dimethyl formamide
N-Methyl-N'-nitro-N-nitrosoguanidine (MNNG)
Hexachlorophene
Benzene
Methyl chloroform (1,1,1-trichloroethane)
Endrin
Mestranol
Methoxychlor
4,4'-DDD
DDE
Trypan blue
Bromomethane (methylbromide)
Chloromethane (methyl chloride)
Methyl iodide (lodomethane)
Hydrogen cyanide
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o o


F024, F025, K009, K010, K019, K020, K021, K029,
K073, K116, K149, K150, K151, K158
F024, F025, K016, K030, K073



F005, F024, F025, F037, F038, K085, K104, K105,
K141, K142, K143, K144, K145, K147, K151, K159
F001, F002, F024, F025, K019, K020, K028, K029,
K096






K131, K132
F024, F025, K009, K010, K149, K150, K157

K011, K013
Chemical-Specific Data
Available
X
X
X
X


X
X

X

X
X
X

X
X


PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments



















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)


X
X



X
X






X
X


U.S. EPA Recommended
and Potential PICs
(1994b)


X
X


X
X
X


X

X

X
X


PICs in Stack Emissions
Actually Detected

X
X




X
X






X
X


Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-4

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 5 of 30)
CAS Number
74-93-1
74-95-3
74-97-5
75-00-3
75-01-4
75-05-8
75-07-0
75-09-2
75-15-0
75-21-8
75-25-2
75-27-4
75-29-6
75-34-3
75-35-4
75-36-5
75-44-5
75-45-6
75-55-8
75-56-9
75-60-5
Compound Name
Thiomethanol
Methylene bromide
Bromochloromethane
Chloroethane
Vinyl chloride
Acetonitrile
Acetaldehyde
Methylene chloride
Carbon disulfide
Ethylene oxide
Bromoform
Bromodichloromethane
2-Chloropropane
1 , 1-Dichloroethane
1,1-Dichloroethene
Acetyl chloride
Phosgene (hydrogen phosphide)
Chlorodifluoromethane
1,2-Propylenimine (2-methyl aziridine)
Propylene oxide
Cacodylic acid
o x
sl
.3 
"8 SB
 < K?
at
. N 0
IIs
gg
o u




F024, F025, K019, K020, K028, K029
K011, K013, K014

F001, F002, F024, F025, K009, K010, K156, K157,
K158
F005




F024, F025
F024, F025, K019, K020, K029

K116




Chemical-Specific Data
Available

X

X
X
X
X
X
X
X
X
X
X
X
X


X



PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)

X
X

X
X


X


X

X
X






U.S. EPA Recommended
and Potential PICs
(1994b)

X
X
X
X

X
X
X
X
X
X
X
X
X

X




PICs in Stack Emissions
Actually Detected


X

X


X
X

X
X

X



X



Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-5

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 6 of 30)
CAS Number
75-69-4
75-70-7
75-71-8
75-86-5
75-87-6
76-01-7
76-13-1
76-44-8
77-47-4
77-78-1
78-00-2
78-32-0
78-34-2
78-59-1
78-83-1
78-87-5
78-93-3
78-97-7
79-00-5
79-01-6
79-06-1
Compound Name
Trichlorofluoromethane (Freon 11)
Trichloromethanethiol
Dichlorodifluoromethane
2-Methylactonitrile
Chloral
Pentachloroethane
1 , 1 ,2-Trichloro- 1 ,2,2-trifluoroethane(Freon 1 13)
Heptachlor
Hexachlorocyclopentadiene
Dimethyl sulfate
Tetraethyl lead
Tri-p-tolyl phosphate
Dioxathion
Isophorone
Isobutyl alcohol
1 ,2-Dichloropropane
2-Butanone (methyl ethyl ketone)
2-Hydroxypropionitrile
1 , 1 ,2-Trichloroethane
Trichloroethene
Acrylamide
O 1*
si
'3 !
-S -91 "
.2 ^ >
hJ ^
^ t: ~
I**
Ig
O U
F001, F002




F024, F025
F001, F002
K097
F024, F025, K032, K033, K034
K131




F005

F005

F002, F024, F025, K019, K020, K095, K096
F001, F002, F024, F025, K018, K019, K020
K014
Chemical-Specific Data
Available
X

X



X
X
X




X

X
X

X
X

PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)
















X

X
X

U.S. EPA Recommended
and Potential PICs
(1994b)
X

X



X
X
X
X





X
X

X
X

PICs in Stack Emissions
Actually Detected
X




X
X

X






X
X

X
X

Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-6

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 7 of 30)
CAS Number
79-10-7
79-11-8
79-19-6
79-20-9
79-22-1
79-34-5
79-44-7
79-46-9
80-62-6
81-07-2
81-81-2
82-68-8
83-32-9
84-66-2
84-74-2
85-01-8
85-44-9
85-68-7
86-30-6
86-50-0
86-73-7
Compound Name
Acrylic acid
Chloroacetic acid
Thiosemicarbazide
Methyl acetate
Methyl chlorocarbonate
1 , 1 ,2,2-Tetrachloroethane
Dimethyl carbamoyl chloride
2-Nitropropane
Methyl methacrylate
Saccharin
Warfarin
Pentachloronitrobenzene (PCNB)
Acenaphthene
Diethyl phthalate
Dibutyl phthalate
Phenanthrene
Phthalic anhydride (1,2-benzenedicarboxylic
anhydride)
Butylbenzyl phthalate
N-Nitrosodiphenylamine
Azinphos-methyl
Fluorene
o x
sl
.3 
"8 SB
 < K?
at
% n o
IIs
g
o o





F024, F025, K019, K020, K030, K073, K095, K150

F005




K022


K022
K023, K024, K093, K094



K022
Chemical-Specific Data
Available



X

X





X
X
X
X

X
X
X

X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)





X








X


X


X
U.S. EPA Recommended
and Potential PICs
(1994b)





X





X

X
X

X
X



PICs in Stack Emissions
Actually Detected













X
X


X



Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-7

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 8 of 30)
CAS Number
86-88-4
87-65-0
87-68-3
87-86-5
88-06-2
88-74-4
88-75-5
88-85-7
90-04-0
90-13-1
91-20-3
91-22-5
91-57-6
91-58-7
91-59-8
91-80-5
91-94-1
92-52-4
92-67-1
92-87-5
92-93-3
Compound Name
alpha-Naphthylthiourea
2,6-Dichlorophenol
Hexachlorobutadiene (perchlorobutadiene)
Pentachlorophenol
2,4,6-Trichlorophenol
o-Nitroaniline (2-nitroaniline)
2-Nitrophenol
Dinoseb
o-Anisidine
1-CWoronaphthalene
Naphthalene
Quinoline
2-Methylnaphthalene
2-Chloronaphthalene
2-Naphthylamine (beta-naphthylamine)
Methapyrilene
3,3'-Dichlorobenzidine
Biphenyl
4-Aminobiphenyl
Benzidine
4-Nitrobiphenyl
o x
sl
.3 
"8 &K
s < t*
at
% n o
IIs
g
o o

K043
F024, F025, K016, K018, K030
F021, F027, F028, F032, K001
F020, F023, F027, F028, K001, K043, K099, K105





F024, F025, F034, K001, K022, K035, K060, K087,
K145










Chemical-Specific Data
Available


X
X
X





X
X

X


X
X

X

PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)


X
X
X





X






X



U.S. EPA Recommended
and Potential PICs
(1994b)


X
X
X
X


X

X
X

X


X
X



PICs in Stack Emissions
Actually Detected


X
X
X

X



X










Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-8

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 9 of 30)
CAS Number
93-72-1
94-58-6
94-59-7
94-75-7
95-06-7
95-47-6
95-48-7
95-50-1
95-53-4
95-57-8
95-79-4
95-80-7
95-83-0
95-94-3
95-95-4
96-09-3
96-12-8
96-18-4
96-23-1
96-45-7
97-63-2
98-01-1
Compound Name
Silvex
Dihydrosaffrole
Safrole (5-(2-Propenyl)- 1 ,3-benzodioxole)
2,4-D
Sulfallate
o-Xylene (dimethyl benzene)
o-Cresol
1 ,2-Dichlorobenzene
o-Toluidine
2-Chlorophenol
5-Chloro-2-methylaniline
2,4-Toluene diamine
4-Chloro- 1 ,2-phenylenediamine
1 ,2,4,5-Tetrachlorobenzene
2,4,5-Trichlorophenol
Styrene oxide
1 ,2-Dibromo-3-chloropropane
1 ,2,3-Tricliloropropane
1 ,3-DicWoro-2-propanol
Ethylene thiourea
Ethyl methacrylate
Furfural
o i*
H
'3 !
-S -91 "
.2 ^ >
hJ ^
^ t: ~
I**
Ig
o u
F027





F004
F002, F024, F025, K042, K085, K105
K112, K113, K114
K001

K112, K113, K114, K115, K027

K085, K149, K150, K151
F020, F023, F027, F028, K001




K123, K124, K125, K126


Chemical-Specific Data
Available


X
X

X
X
X
X
X



X
X

X
X

X
X
X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)





X

X





X
X

X





U.S. EPA Recommended
and Potential PICs
(1994b)


X
X

X
X
X
X
X



X
X

X
X

X
X
X
PICs in Stack Emissions
Actually Detected





X

X

X



X








Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-9

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 10 of 30)
CAS Number
98-07-7
98-82-8
98-83-9
98-86-2
98-87-3
98-95-3
99-09-2
99-35-4
99-55-8
99-59-2
99-65-0
100-01-6
100-02-7
100-25-4
100-41-4
100-42-5
100-44-7
100-51-6
100-52-7
100-75-4
101-05-3
101-14-4
Compound Name
Benzotrichloride
Cumene
Methyl styrene (mixed isomers)
Acetophenone
Benzal chloride
Nitrobenzene
3-Nitroaniline
1,3,5-Trinitrobenzene
5-Nitro-o-toluidine
5-Nitro-o-anisidine
1 ,3-Dinitrobenzene
4-Nitroaniline (p-nitroaniline)
4-Nitrophenol (p-nitrophenol)
1 ,4-Dinitrobenzene (p-dinitrobenzene)
Ethylbenzene
Styrene
Benzyl chloride
Benzyl alcohol
Benzaldehyde
N-Nitrosopiperidine
Anilazine
4,4'-Methylenebis (2-chloroaniline)
o x
sl
.3 
"8 &K
s < t*
at
% n o
IIs
g
o o
K015, K149




F004, K083, K103, K104




K025





K015, K085, K149





Chemical-Specific Data
Available
X
X
X
X

X

X


X


X
X
X
X

X



PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)

X












X
X
X

X



U.S. EPA Recommended
and Potential PICs
(1994b)
X
X
X
X

X

X


X

X
X
X
X
X

X



PICs in Stack Emissions
Actually Detected

X

X










X



X



Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-10

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 11 of 30)
CAS Number
101-27-9
101-55-3
101-61-1
101-68-8
101-79-9
101-80-4
102-82-9
103-33-3
103-85-5
105-60-2
105-67-9
106-42-3
106-44-5
106-46-7
106-47-8
106-49-0
106-50-3
106-51-4
106-88-7
106-89-8
106-93-4
106-99-0
Compound Name
Barban
4-Bromophenyl phenyl ether
4,4'-Methylenebis (N,N-dimethylaniline)
Methylene diphenyl diisocyanate (MDI)
4,4-Methylenedianiline
4,4'-Oxydianiline
Tributylamine
Azobenzene
Phenylthiourea
Caprolactam
2,4-Dimethylphenol
p-Xylene (dimethyl benzene)
p-Cresol (4-methyl phenol)
1 ,4-Dichlorobenzene
p-Chloroaniline
p-Toluidine
p-Phenylenediamine
Quinone
1 ,2-Epoxybutane
Epichlorohydrin (l-chloro-2,3 epoxypropane)
Ethylene dibromide
1,3-Butadiene
o x
sl
.3 
"8 &K
s < t*
at
% n o
IIs
g
o o










K001

F004
F024, F025, K085, K105, K149, K150

K112, K113, K114



K017
K117, K118, K136

Chemical-Specific Data
Available







X


X

X
X
X
X



X
X

PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)







X



X

X







X
U.S. EPA Recommended
and Potential PICs
(1994b)




X


X


X
X
X
X
X
X

X

X
X
X
PICs in Stack Emissions
Actually Detected










X
X

X








Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-11

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 12 of 30)
CAS Number
107-02-8
107-05-1
107-06-2
107-07-3
107-10-8
107-12-0
107-13-1
107-18-6
107-19-7
107-20-0
107-21-1
107-30-2
107-49-3
107-98-2
108-05-4
108-10-1
108-18-9
108-31-6
108-38-3
108-39-4
108-46-3
Compound Name
Acrolein
Allyl chloride
1,2-Dichloroethane (ethylene dichloride)
2-Chloroethanol
n-Propylamine
Propionitrile
Acrylonitrile
Allyl alcohol
Propargyl alcohol
Chloroacetaldehyde
Ethylene glycol (1,2-ethanediol)
Chloromethyl methyl ether
Tetraethyl pyrophosphate
Propylene glycol monomethyl ether
Vinyl acetate
Methyl isobutyl ketone
Diisopropylamine
Maleic anhydride
m-Xylene (dimethyl benzene)
m-Cresol
Resorcinol
o x
sl
.3 
"8 SB
 < K?
at
3 N o
IIs
gg
o o

F024, F025
F024, F025, K018, K019, K020, K029, K030, K096



K011, K013


K010







K023, K093

F004

Chemical-Specific Data
Available
X

X



X

X

X


X
X
X


X
X

PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)


X



X











X


U.S. EPA Recommended
and Potential PICs
(1994b)
X

X



X

X

X


X
X
X


X
X

PICs in Stack Emissions
Actually Detected


X












X


X


Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-12

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 13 of 30)
CAS Number
108-60-1
108-67-8
108-87-2
108-88-3
108-90-7
108-95-2
108-98-5
109-06-8
109-77-3
109-88-4
109-89-7
109-99-9
110-54-3
110-75-8
110-80-5
110-86-1
111-15-9
111-42-2
111-44-4
111-54-6
111-76-2
111-91-1
Compound Name
bis (2-Chloroisopropyl)ether
1,3,5-Trimethylbenzene
Methylcyclohexane
Toluene
Chlorobenzene
Phenol
Thiophenol (benzenethiol)
2-Picoline
Malononitrile
2-Methoxyethanol
Diethylamine
Tetrahydrofuran
n-Hexane
2-Chloroethylvinyl ether
Ethylene glycol monoethyl ether
Pyridine
Ethylene glycol monoethyl ether acetate
Diethanolamine
bis(2-chloroethyl)ether
Ethylene(bis)dithiocarbamic acid
Ethylene glycol monobutyl ether
bis(2-chloroethoxy)methane
O 1*
si
'3 l
-S -91 "
.2 ^ >
hJ ^
^ t: ~
I**
Ig
O U



F005, F024, F025, K015, K036, K037, K149, K151
F002, F024, F025, K015, K105, K149
K001, K022, K087

K026






F005
F005, K026, K157


K017



Chemical-Specific Data
Available

X

X
X
X


X
X

X
X

X
X


X



PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)



X
X
X












X


X
U.S. EPA Recommended
and Potential PICs
(1994b)
X

X
X
X
X


X
X


X

X
X
X

X

X
X
PICs in Stack Emissions
Actually Detected

X

X
X
X





X










Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-13

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 14 of 30)
CAS Number
114-26-1
115-02-6
115-29-7
115-90-2
116-06-3
117-79-3
117-80-6
117-81-7
117-84-0
118-74-1
118-96-7
119-90-4
119-93-7
120-12-7
120-58-1
120-62-7
120-71-8
120-80-9
120-82-1
120-83-2
121-14-2
Compound Name
Propoxur (Bayton)
Azaserine
Endosulfan
Fensulfothion
Aldicarb
2-Aminoanthraquinone
Dichlone
bis(2-ethylhexyl)phthalate
Di-n-octylphthalate
Hexachlorobenzene (perchlorobenzene)
2,4,6-Trinitrotoluene
3,3'-Dimethoxybenzidine
3,3'-Dimethylbenzidine
Anthracene
Isosafrole
Piperonyl sulfoxide
p-Cresidine
Catechol
1 ,2,4-Trichlorobenzene
2,4-Dichlorophenol
2,4-Dinitrotoluene
o x
sl
.3 
"8 &K
s < t*
at
% n o
IIs
g
o o









F024, F025, K016, K018, K030, K042, K085, K149,
K150, K151



K022




F024, F025, K085, K150
K043, K099
K025, Kill
Chemical-Specific Data
Available


X




X
X
X
X
X

X




X
X
X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)







X

X



X




X
X

U.S. EPA Recommended
and Potential PICs
(1994b)







X
X
X

X

X




X
X
X
PICs in Stack Emissions
Actually Detected







X

X








X


Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-14

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 15 of 30)
CAS Number
121-44-8
121-69-7
121-75-5
122-09-8
122-39-4
122-66-7
123-31-9
123-33-1
123-38-6
123-63-7
123-91-1
124-48-1
126-68-1
126-72-7
126-75-0
126-98-7
126-99-8
127-18-4
129-00-0
130-15-4
131-11-3
Compound Name
Triethylamine
N,N-Diethyl aniline
Malathion
a,a-Dimethylphenethylamine
Diphenylamine
1 ,2-Diphenylhydrazine
Hydroquinone
Maleic hydrazide
Propionaldehyde
Paraldehyde
Dioxane (1,4-dioxane)
Chlorodibromomethane
0,0,0-Triethyl phosphorothioate
tris(2,3-dibromopropyl) phosphate
Demeton-S
Methacrylonitrile
Chloroprene
Tetrachloroethene (Perchloroethylene)
Pyrene
1 ,4-Naphthoquinone
Dimethyl Phthalate
O 1*
si
'3 !
-S -91 "
.2 ^ >
hJ ^
^ t: ~
I**
Ig
O U
K156, K157



K083, K104




K009, K010, K026







F001, F002, F024, F025, K016, K019, K020, K073,
K116, K150, K151
K022
K024

Chemical-Specific Data
Available


X

X
X

X


X
X



X

X
X

X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)










X






X
X

X
U.S. EPA Recommended
and Potential PICs
(1994b)




X
X

X
X

X




X

X


X
PICs in Stack Emissions
Actually Detected











X





X
X


Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-15

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 16 of 30)
CAS Number
131-89-5
131-89-5
132-32-1
132-64-9
133-06-2
133-90-4
134-32-7
137-17-7
137-26-8
140-57-8
140-88-5
141-66-2
143-33-9
143-50-0
145-73-3
148-82-3
151-50-8
151-56-4
152-16-9
156-60-5
156-62-7
189-55-9
Compound Name
2-Cyclohexyl-4,6-dinitro-phenol
2-Cycloyhexyl-4,6-dinitrophenol
3-Amino-9-ethylcarbazole
Dibenzofuran
Captan
Chloramben
1-Naphthylamine (alpha-naphthylamine)
2,4,5-Trimethylaniline
Thiram
Aramite
Ethyl acrylate
Dicrotophos
Sodium cyanide
Kepone
Endothall
Melphalan
Potassium cyanide
Ethylene imine (Aziridine)
Octamethyl pyrophosphoramide
(trans) 1 ,2-dichloroethene
Calcium cyanamide
Dibenzo(a,i)pyrene
o i*
si
'3 !
-S -91 "
.2 ^ >
hJ ^
^ t: ~
I**
Ig
o u












F007, F008, F009, F010, F011



F007, F008, F009, F010, F011


F024, F025


Chemical-Specific Data
Available
X













X




X


PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)



X
X

















U.S. EPA Recommended
and Potential PICs
(1994b)

X












X




X


PICs in Stack Emissions
Actually Detected






















Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-16

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 17 of 30)
CAS Number
191-24-2
192-65-4
192-97-2
193-39-5
205-82-3
205-99-2
206-44-0
207-08-9
208-96-8
218-01-9
224-42-0
225-51-4
297-97-2
297-97-2
298-00-0
298-02-2
298-03-3
298-04-4
299-84-3
300-76-5
Compound Name
Benzo(g,h,i)perylene
Dibenzo(a,e)pyrene
Benzo(e)pyrene
Indeno(l ,2,3-cd)pyrene
BenzoQfluoranthene
Benzo(b)fluoranthene (3,4-Benzofluoranthene)
Fluoranthene
Benzo(k)fluoranthene
Acenaphthalene
Chrysene
Dibenz(a,j)acridine
Benz[c]acridine
O,O-Diethyl O-pyrazinyl phosphorothioate
Thionazine
Methyl parathion
Phorate
Demeton-O
Disulfoton
Ronnel
Naled
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o o
K022

K022
F032, F034, K001, K022, K035, K141, K142, K147,
K148
K022
K001, K022, K035, K141, K142, K143, K144, K147,
K148
K001, K022, K035
F034, K022, K141, K142, K143, K144, K147, K148
K001, K022, K035
F037, F038, K001, K022, K035





K038, K040




Chemical-Specific Data
Available



X

X
X
X

X




X
X

X
X
X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments




















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)
X



X
X
X
X

X










U.S. EPA Recommended
and Potential PICs
(1994b)
X

X
X
X
X
X
X

X










PICs in Stack Emissions
Actually Detected






X













Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-17

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 18 of 30)
CAS Number
302-01-2
302-17-0
303-34-1
305-03-3
309-00-2
311-45-5
315-18-4
319-84-6
319-85-7
319-86-8
321-60-8
334-88-3
353-50-4
357-57-3
367-12-4
460-00-4
460-19-5
463-58-1
465-73-6
470-90-6
479-45-8
492-80-8
Compound Name
Hydrazine
Chloral hydrate
Lasiocarpine
Chlorambucil
Aldrin
Diethyl-p-nitrophenyl phosphate
Mexacarbate
alpha-Hexachlorocyclohexane (alpha-BHC)
beta-Hexachlorocyclohexane (beta-BHC)
delta-BHC
2-Fluorobiphenyl
Diazomethane
Carbon oxyfluoride
Brucine
2-Fluorophenol
4-Bromofluorobenzene
Cyanogen (oxalonitrile)
Carbonyl sulfide
Isodrin
Chlorfenvinphos
Tetryl
Auramine
o x
sl
.3 
"8 SB
 < K?
at
3 N o
IIs
gg
o o







F024














Chemical-Specific Data
Available




X


X
X







X





PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)






















U.S. EPA Recommended
and Potential PICs
(1994b)







X
X







X





PICs in Stack Emissions
Actually Detected






















Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-18

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 19 of 30)
CAS Number
494-03-1
504-24-5
505-60-2
506-61-6
506-64-9
506-68-3
506-77-4
510-15-6
512-56-1
528-29-0
532-27-4
534-52-1
540-36-3
540-73-8
540-84-1
541-53-7
541-73-1
542-62-1
542-75-6
542-76-7
542-88-1
Compound Name
Chlornaphazin
4-Aminopyridine
Mustard gas
Potassium silver cyanide
Silver cyanide
Cyanogen bromide (bromocyanide)
Cyanogen chloride
Chlorobenzilate
Trimethyl phosphate
1 ,2-Dinitrobenzene (o-Dinitrobenzene)
2-Chloroacetophenone
4,6-Dinitro-o-cresol
1 ,4-Difluorobenzene
1 ,2-Dimethylhydrazine
2,2,4-Trimethylpentane
Dithiobiuret
1 ,3-Dichlorobenzene
Barium cyanide
1 ,3-Dichloropropene
3-Chloropropionitrile
bis(Chloromethyl)ether
o x
sl
.3 
"8 SB
 < K?
at
. N 0
IIs
gg
o u



F006, F007, F008, F009, F010, F011, F012, F019,
K007, K088
F006, F012, F019, K007, K088






F004




F024, F025, K085, K105



K017
Chemical-Specific Data
Available





X
X
X

X








X

X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)




















X
U.S. EPA Recommended
and Potential PICs
(1994b)





X
X
X

X
X
X

X
X

X

X

X
PICs in Stack Emissions
Actually Detected
















X




Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-19

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 20 of 30)
CAS Number
544-92-3
557-19-7
557-21-1
563-12-2
563-68-8
584-84-9
590-60-2
591-08-2
591-78-6
592-01-8
593-60-2
598-31-2
602-87-9
606-20-2
608-93-5
615-53-2
621-64-7
623-40-5
624-83-9
628-86-4
630-10-4
630-20-6
Compound Name
Copper cyanide
Nickel cyanide
Zinc cyanide
Ethion
Thallium(I)acetate
2,4-Toluene diisocyanate
Bromoethene
l-Acetyl-2-thiourea
2-Hexanone (butyl methyl ketone)
Calcium cyanide
Vinyl bromide
Bromoacetone
5-Nitroacenaphthene
2,6-Dinitrotoluene
Pentachlorobenzene
N-Nitroso-N-methylurethane
N-Nitroso-di-n-propylamine
Toluene-2,6-diamine
Methyl isocyanate
Mercury fulminate
Selenourea
1,1, 1 ,2-Tetrachloroethane
O 1*
si
'3 !
-S -91 "
.2 ^ >
hJ ^
^ t: ~
I**
Ig
O U





K027








F024, F025, K085, K149, K150, K151






F024, F025, K019, K020, K030, K095
Chemical-Specific Data
Available













X
X

X
X



X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)














X






X
U.S. EPA Recommended
and Potential PICs
(1994b)





X
X






X
X


X
X


X
PICs in Stack Emissions
Actually Detected














X







Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-20

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 21 of 30)
CAS Number
636-21-5
640-19-7
680-31-9
684-93-5
692-42-2
696-28-6
732-11-6
755-04-5
757-58-4
759-73-9
764-41-0
765-34-4
786-19-6
822-06-0
924-16-3
930-55-2
959-98-8
961-11-5
1024-57-3
1031-07-8
1116-54-7
1120-71-4
Compound Name
o-Toluidine hydrochloride
Fluoroacetamide
Hexamethylphosphoramide
N-Nitroso-N-methylurea
Diethylarsine
Dichlorophenylarsine
Phosmet
Titanium tetrachloride
Hexaethyl tetraphosphate
N-Nitroso-N-ethylurea
1 ,4-Dichloro-2-butene
Glycidylaldehyde
Carbophenothion
Hexamethylene- 1 ,5-diisocyanate
N-Nitroso-di-n-Buetylamine
N-Nitrosopyrrolidine
Endosulfan I
Tetrachlorvinphos
HeptacWor epoxide
Endosulfan sulfate
N-Nitrosodiethanolamine
1,3-Propane sultone
o x
sl
.3 
"8 &K
s < t*
at
% n o
IIs
g
o o






















Chemical-Specific Data
Available











X


X



X



PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)






















U.S. EPA Recommended
and Potential PICs
(1994b)










X
X

X
X






X
PICs in Stack Emissions
Actually Detected






















Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-21

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 22 of 30)
CAS Number
1303-28-2
1314-32-5
1314-62-1
1319-77-3
1327-53-3
1330-20-7
1332-21-4
1335-32-6
1336-36-3
1338-23-4
1464-53-5
1563-66-2
1582-09-8
1615-80-1
1634-04-4
1718-51-0
1746-01-6
1836-75-5
1888-71-7
2037-26-5
2104-64-5
Compound Name
Arsenic pentoxide
Thallic oxide
Vanadium pentoxide
Cresols/cresylic acid (isomers and mixtures)
Arsenic trioxide
Xylene (total)
Asbestos
Lead subacetate
Polychlorinated biphenyls (209 congeners)
2-Butanone peroxide
1,2,3,4-Diepoxybutane
Carbofuran
Trifluralin
N,N'-Diethylhydrazine
Methyl tert butyl ether
Terphenyl-dl4
2,3,7,8-Tetrachlorodibenzo(p)dioxin(TCDD)
Nitrofen
Hexachloropropene
Toluene-d8
EPN
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o u



F004







K156, K158




F020, F022, F023, F026, F027, F028, F032




Chemical-Specific Data
Available





X


X







X




PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)





X


X







X




U.S. EPA Recommended
and Potential PICs
(1994b)








X





X

X




PICs in Stack Emissions
Actually Detected





X


X







X




Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-22

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 23 of 30)
CAS Number
2303-16-4
2310-17-0
2385-85-5
2425-06-1
2763-96-4
2921-88-5
3114-55-4
3288-58-2
3689-24-5
4170-30-3
4549-40-0
5131-60-2
5344-82-1
6533-73-9
6923-22-4
6959-48-4
7005-72-3
7421-93-4
7439-92-1
7439-96-5
7439-97-6
Compound Name
Diallate (cis or trans)
Phosalone
Mirex
Captafol
5-(Aminomethyl)-3-isoxazolol
Chlorpyrifos
Chlorobenzene-d5
O,O-Diethyl S-methyl dithiophosphate
Tetraethyl dithiopyrophosphate
Crotonaldehyde (Propylene aldehyde)
N-Nitrosomethylvinylamine
4-Chloro- 1 ,3-phenylenediamine
l-(o-Chlorophenyl)thiourea
Thallium(I)carbonate
Monocrotophos
3-(Chloromethyl)pyridine hydrochloride
4-Chlorophenyl phenyl ether
Endrin aldehyde
Lead
Manganese
Mercury
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o u
















F020, F023, F027, F028

F035, F037, F038, K002, K003, K005, K046, K048,
K049, K051, K052, K061, K062, K064, K069, K086,
K100

K071, K106
Chemical-Specific Data
Available





X



X








X

X
PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)


















X
X
X
U.S. EPA Recommended
and Potential PICs
(1994b)









X








X

X
PICs in Stack Emissions
Actually Detected


















X
X
X
Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-23

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 24 of 30)
CAS Number
7440-02-0
7440-22-4
7440-28-0
7440-36-0
7440-38-2
7440-39-3
7440-41-7
7440-43-9
7440-47-3
7440-48-4
7440-50-8
7440-62-2
7440-66-6
7446-18-6
7487-94-7
7488-56-4
7647-01-0
7664-38-2
7664-39-3
7664-41-7
7700-17-6
Compound Name
Nickel
Silver
Thallium
Antimony
Arsenic
Barium
Beryllium
Cadmium
Chromium (total)
Cobalt
Copper
Vanadium
Zinc
Thallium(I)sulfate
Mercuric chloride
Selenium sulfide
Hydrogen Chloride (hydrochloric acid)
Phosphoric acid
Hydrogen fluoride
Ammonia
Crotoxyphos
o x
sl
.3 
"8 SB
 < K?
at
3 N o
IIs
gg
o o
F006


K021, K161
F032, F034, F035, K031, K060, K084, K101, K102,
K161


F006, K061, K064, K069, K100
F032, F034, F035, F037, F038, K090












Chemical-Specific Data
Available
X
X
X
X
X
X
X
X






X

X


X

PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)
X
X
X
X
X
X

X
X



X








U.S. EPA Recommended
and Potential PICs
(1994b)
X
X
X
X
X
X
X
X
X










X

PICs in Stack Emissions
Actually Detected
X



X

X
X
X

X

X



X

X
X

Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-24

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 25 of 30)
CAS Number
7723-14-0
7778-39-4
7782-41-4
7782-49-2
7782-50-5
7783-00-8
7783-06-4
7786-34-7
7791-12-0
7803-51-2
7803-55-6
8001-35-2
8065-48-3
10102-43-9
10102-44-0
10102-45-1
10595-95-6
11096-82-5
11097-69-1
11104-28-2
11141-16-5
12039-52-0
Compound Name
Phosphorus
Arsenic acid
Fluorine
Selenium
Chlorine
Selenium dioxide
Hydrogen sulfide
Mevinphos
Thallium(I)chloride
Phosphine
Ammonium vanadate
Toxaphene (chlorinated camphene)
Demeton
Nitric oxide
Nitrogen dioxide
Thallium nitrate
N-Nitrosomethylethylamine
Arochlor-1260
Arochlor-1254
Arochlor-1221
Arochlor-1232
Thallium selenite
o x
sl
.3 
"8 SB
 < K?
at
. N 0
IIs
gg
o u











K041, K098










Chemical-Specific Data
Available



X
X













X



PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)



X


















U.S. EPA Recommended
and Potential PICs
(1994b)



X


















PICs in Stack Emissions
Actually Detected














X







Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-25

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 26 of 30)
CAS Number
12672-29-6
12674-11-2
13071-79-9
13171-21-6
13463-39-3
13765-19-0
16752-77-5
18540-29-9
18883-66-4
19408-74-3

20816-12-0
20830-81-3
20859-73-8
21609-90-5
22967-92-6
23950-58-5
25013-15-4
25265-76-3
25376-45-8
26471-62-5
33213-65-9
Compound Name
Arochlor-1248
Arochlor-1016
Terbufos
Phosphamidon
Nickel carbonyl
Calcium eliminate
Methomyl
Chromium (hexavalent)
Streptozotocin
l,2,3,7,8,9-Hexachlorodibenzo(p)dioxin

Osmium tetroxide
Daunomycin
Aluminum phosphide
Leptophos
Methyl mercury
Pronamide
Methyl styrene
Phenylenediamine
Toluenediamine
Toluene diisocyanate
Endosulfan II
o x
sl
.3 
"8 SB
 < K?
at
% n o
IIs
g
o o







F006, F019, K002, K003, K004, K005, K006, K007,
K008, K048, K049, K050, K051, K061, K062, K069,
K086, K100

F021, F022, F026, F027, F028, F032








K083, K103, K104



Chemical-Specific Data
Available

X





X







X
X
X




PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments






















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)







X

X





X






U.S. EPA Recommended
and Potential PICs
(1994b)









X





X
X





PICs in Stack Emissions
Actually Detected







X














Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-26

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 27 of 30)
CAS Number
33245-39-5
35822-46-9
39196-18-4
39227-28-6
39300-45-3
40321-76-4
53469-21-9
53494-70-5
55673-89-7

57117-41-6
57117-44-9

57653-85-7
60851-34-5

67562-39-4
70648-26-9

72918-21-9
109719-77-9
125322-32-9
-
-
-
-
Compound Name
Fluchloralin
l,2,3,4,6,7,8-Heptachlorodibenzo(p)dioxin
Thiofanox
l,2,3,4,7,8-Hexachlorodibenzo(p)dioxin
Dinocap
l,2,3,7,8-Pentachlorodibenzo(p)dioxin
Arochlor-1242
Endrin ketone
1,2,3,4,7,8,9-Heptachlorodibenzofuran

2,3,4,7,8-Pentachlorodibenzofuran
1,2,3,6,7,8-Hexachlorodibenzofuran

l,2,3,6,7,8,-Hexachlorodibenzo(p)dioxin
2,3,4,6,7,8-Hexachlorodibenzofuran

1,2,3,4,6,7,8-HeptacWorodibenzofuran
1,2,3,4,7,8-Hexaclilorodibenzofuran

1,2,3, 7,8, 9-Hexachlorodibenzofuran
1,2,3,7,8-Pentaclilorodibenzofuran
2,3,7,8-TetracWorodibenzofuran
Beryllium compounds
Cadmium compounds
Chlorocyclopentadiene
N-CWorodiisopropyl amine
o x
sl
.3 
"8 &K
 < K?
at
% n o
IIs
g
o o

F032

F021, F022, F026, F027, F028, F032

F020, F021, F022, F023, F026, F027, F028, F032


F032

F020, F021, F022, F023, F026, F027, F028, F032
F021, F022, F026, F027, F028, F032

F021, F022, F026, F027, F028, F032
F021, F022, F026, F027, F028, F032

F032
F021, F022, F026, F027, F028, F032

F021, F022, F026, F027, F028, F032
F020, F021, F022, F023, F026, F027, F028, F032
F020, F022, F023, F026, F027, F028, F032




Chemical-Specific Data
Available


























PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments


























U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)

X

X

X


X

X
X

X
X

X
X

X
X
X


X

U.S. EPA Recommended
and Potential PICs
(1994b)

X

X

X


X

X
X

X
X

X


X
X
X


X

PICs in Stack Emissions
Actually Detected





X




X









X
X




Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-27

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 28 of 30)
CAS Number
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
Compound Name
N-Chloroisopropyl amine
Chromium compounds
Creosote
Cyanide compounds
O-Decyl hydroxylamine
Dibenzo(a,e)fluoranthene
Dibenzo(a,h)fluoranthene
Dibutylchloramine
3,3-Dichloroisopropyl ether
Dichloropentadiene
Dimethylnitrosamine
Lead compounds
Nicotine salts
2-Nitrodiphenylamine
Octachlorodibenzo(p)dioxin
OctachlorodibenzofUran
Phthalic acid esters
Saccharin salts
Sodium O-ethylmethylphosphonate
Diisopropylamine
Strychnine salts
Thioamine
o x
sl
.3 
"8 SB
 < K?
at
% n o
IIs
g
o o


K001, K035
F006, F007, F008, F009, F010, F011, F012, F019,
K007, K060, K088

K022
K022














Chemical-Specific Data
Available





















PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)





X
X







X
X





U.S. EPA Recommended
and Potential PICs
(1994b)





X
X


X
X



X
X





PICs in Stack Emissions
Actually Detected





















Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-28

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 29 of 30)
CAS Number
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
--
Compound Name
O-decyl-hydroxylamine
Acenaphthene-d 1 0
Antimony compounds
Arsenic compounds (inorganic, including arsine)
2-Chloro- 1 ,3-butadiene
Chrysene-dl2
Cobalt compounds
Coke oven emissions
Dibenz(a)anthracene
1 ,4-Dichlorobenzene-d4
Dichloroethylene
Dichloropropane
Dichloropropanols
Dichloropropene
Manganese compounds
Mercury compounds
Naphthalene-d8
Nickel compounds
Nitrobenzene-d5
Perylene-dl2
Phenanthrene-dlO
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o u




F024, F025



K001, K035

K073
F024, F025
K017
F024, F025







Chemical-Specific Data
Available





















PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments





















U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)





















U.S. EPA Recommended
and Potential PICs
(1994b)





















PICs in Stack Emissions
Actually Detected





















Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-29

-------
                                                        TABLE A-1
                                     INFORMATION ON COMPOUNDS OF POTENTIAL INTEREST

                                                      (Page 30 of 30)
CAS Number
--
--
--
--
--
--
--
--
--
Compound Name
Phenol-d6
Phenolic compounds
Phosphorodithioic and phosphorothioic acid
esters
2,3,7,8-substitutedPolychlorinated
dibenzo(p)dioxin congeners (2,3,7,8-PCDDs)
2,3,7,8-substituted Polychlorinated dibenzofuran
congeners (2,3,7,8-PCDFs)
Selenium compounds
Tetrachlorobenzene
2,4,6-Tribromophenol
Tricliloropropane
o x
sl
.3 
"8 &K
s < t*
at
. N 0
IIs
gg
o o

K060
K036, K037, K038, K039, K040



F024, F025

K017
Chemical-Specific Data
Available









PICs Recommended by
U.S. EPA (1994a) for Risk
Assessments









U.S. EPA Compounds
Identified in Combustion
Unit Emissions (1993)









U.S. EPA Recommended
and Potential PICs
(1994b)









PICs in Stack Emissions
Actually Detected









Note:  See Table A-1 References and Discussion (Appendix A-1) for explanation of the information presented.
A-1-30

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999
                                     APPENDIX A-l

                        COMPOUNDS OF POTENTIAL INTEREST

                            REFERENCES AND DISCUSSION

This discussion lists reference documents for each of the columns in Table Al-1 and briefly describes the
quality of data associated with these references. This information is only presented for informational
purposes to assist in planning data collection.

Al.l   COLUMN 1: CHEMICAL ABSTRACTS SERVICE (CAS) NUMBER

The CAS number is a unique number assigned to each compound in the table.  Compounds are listed by
CAS number, in ascending order, to prevent problems with alphabetization procedures or differences in
common nomenclature.

A1.2   COLUMN 2: COMPOUND NAME

The most common compound name is listed. Where appropriate, common synonyms are also listed to
aid the user in identifying particular compounds.

A1.3   COLUMN 3: COMPOUNDS LISTED IN 40 CFR PART 261 APPENDIX VII OR VIII

Appendix VII of Title 40 Code of Federal Regulations (40 CFR) Part 261 identifies compounds for
which specific hazardous wastes, from specific and nonspecific sources, are listed (U.S. EPA 1995).
Appendix VIII of 40 CFR Part 261 identifies acute hazardous wastes and toxic hazardous wastes
associated with commercial chemical products, manufacturing  chemical intermediates, and
off-specification commercial chemical products (U.S. EPA 1995). This column lists hazardous waste
codes  for the associated compounds. This list is provided for reference purposes only, because it is
commonly cited by other U.S. EPA combustion risk assessment documents as an original source of the
product of incomplete combustion (PIC) lists.  An explanation  of the reasons for including a COPC on
this list is beyond the scope of this guidance.

A1.4   COLUMN 4: CHEMICAL-SPECIFIC DATA AVAILABLE

This column lists those compounds for which the following are available (as presented in Appendix A-2):
(1) chemical-specific physical and chemical information, and (2) chemical-specific fate-and-transport
information.

A1.5   COLUMN 5: PICS RECOMMENDED BY U.S. EPA (1994a) FOR SCREENING LEVEL
       RISK ASSESSMENTS

Compounds in this column marked with an "X" in the appropriate cells identified by U.S. EPA (1994a)
as PICs to be included in screening level risk assessments. U.S. EPA (1994a) does not describe the basis
or references for the inclusion of these PICs in screening level risk assessments. More information
regarding some of these compounds is presented in Chapter 2.
U.S. EPA Region 6                                                             U.S. EPA
Multimedia Planning and Permitting Division                                          Office of Solid Waste
Center for Combustion Science and Engineering                                                  A-1 -31

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

A1.6   COLUMN 6:  PICS IDENTIFIED IN COMBUSTION UNIT EMISSIONS (U.S. EPA 1993)

Compounds in this column marked with an "X" in the appropriate cells are identified in U.S. EPA (1993)
as PICs. The source documents for these tables cited by U.S. EPA (1993) are described in the following
subsections. These references have been cited by this and other U.S. EPA reference documents as
"sources" of information regarding PIC emissions from hazardous waste combustion units. This
documentU.S. EPA (1993)has, in turn, been cited by later guidance documents as a "source" of
information regarding PIC emissions from hazardous waste combustion units.  However, as is indicated
by the listing of the references from Dempsey and Oppelt (1993) (which is a summary of existing
information), many of the reference documents appear to simply cite additional "sources" of information.
The original research and sampling data regarding PIC emissions have not yet been identified but, based
on a preliminary review of the information below, the sources of the "original" information cited by all of
the most common reference documents may be limited and may have been published over 15 years ago.

Al.6.1 Demsey and Oppelt (1993)

The sections of Demsey and Oppelt (1993) regarding PICs from hazardous waste combustion facilities
("Combustion Byproduct Emissions" and "Table XVII: Organics that Could Potentially be Emitted from
Devices Burning Hazardous Waste") cite the following references:

             U.S. EPA (1989b) does not include a list of PICs from combustion sources. U.S. EPA
              (1989b) discussed ways of ensuring that PIC emissions do not pose an unacceptable risk
              to human health and the environment.  Stack gas carbon monoxide (CO) concentration is
              a good indicator of combustion efficiency; therefore, controlling CO is a prudent and
              reasonable approach to minimizing the potential risk from PICs. The destruction and
              removal efficiency (DRE) standard of 40 CFR Part 264.242(a) limits stack emissions of
              principal organic hazardous constituents (POHC) to 0.01 percent (or 0.0001 percent for
              dioxin-containing waste) of the quantity of POHC in the waste. This standard, however,
              does not impose a limit on PICs. Therefore, a limit of 100 parts per million by volume
              (ppmv) (Tier I) was  imposed, below which PIC emissions do not pose unacceptable risks
              to human health.  The proposed rule allows a waiver to the 100-ppmv CO limit, by
              (1) restricting total hydrocarbon (THC) emissions to 20 ppmv (Tier II), or (2) showing
              that THC emissions  do not pose an unacceptable risk by using prescribed risk assessment
              procedures.

              The above limitations were also provided in the Federal Register,  dated January 23, 1981
              (U.S. EPA 1981) and April 27, 1990 (U.S. EPA 1990b)

             U.S. EPA (1981) does not contain any information regarding PICs not contained in U.S.
              EPA (1989b).  There is no discussion of "risk" in this document. Although the notice
              deals with permitting standards, there is no risk-based approach, and it appears to be an
              entirely technical discussion.  Specifically, it deals with updated material for specific
              parts of 40 CFR.

                             40 CFR Part  122 (Incinerator Facility Permits)
                             40 CFR Part  264 (General Standards for Hazardous Waste Incineration)
                             40 CFR Part  265 (Interim Status Standards for Hazardous Waste
                             Incineration)
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-1-32

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

               Standards are technology-based, not risk-based.

              U.S. EPA (1990a) describes amendments to the hazardous waste incinerator regulations
               for the following purpose:

                      Improve control of toxic metal emissions, HC1 emissions, and residual organic
                      emissions; amend the definitions of incinerators and industrial furnaces; propose
                      definitions for plasma arc incinerators and infrared incinerators; propose to
                      regulate carbon regeneration units as thermal treatment devices; and make a
                      number of minor revisions to permitting procedures.

               U.S. EPA (1990a) also states the following:

                      The database on PIC emissions is limited therefore, the risk assessments may
                      under-estimate risk. The assessments  consider only the  organic compounds that
                      have been actually identified and quantified. Zero to 60 percent of total
                      unburned hydrocarbon emissions have been chemically  identified at any
                      particular facility. Thus, the bulk of the hydrocarbon emissions have not been
                      considered in those risk assessments.  Although many of the unidentified,
                      unqualified organic compounds may  be non-toxic, some fraction of the organic
                      emissions is undoubtedly toxic. . . .data on typical PIC emissions from
                      hazardous waste combustion sources were compiled and assessed in recent EPA
                      studies. These studies identified 37 individual compounds in the stack gas of the
                      eight full-scale hazardous waste incinerators tested, out of which 17 were volatile
                      compounds and 20  semivolatile compounds. Eight volatile compounds
                      (benzene, toluene, chloroform, trichloroethylene, carbon tetrachloride,
                      tetrachloroethylene, chlorobenzene, and methylene chloride), and one
                      semivolatile compound (naphthalene)  were identified most frequently in more
                      than 50 percent of the tests.  Some of these compounds are carcinogenic.

               The sources for these statements appear to be Wallace and others (1986) and Trenholm
               and Lee (1986).

               Trenolm and Lee (1986), prepared by Andrew R. Trenholm of Midwest Research
               Institute and C.C. Lee at the U.S. EPA Hazardous Waste Engineering Research
               Laboratory, discussed that emissions from incinerators are only characterized for
               constituents listed in Appendix VIII.  However, constituents not listed in Appendix VIII
               are also emitted from the stacks.

               Data was obtained from HWERL-sponsored tests at eight hazardous waste incinerators,
               nine boilers that co-fired hazardous wastes, and five mineral processing kilns that fired
               hazardous wastes as fuel.  In addition, SVOC  emissions data for two municipal solid
               waste incinerators and seven coal-fired power  plants were also reviewed. The common
               PICs are presented in the following table:
U.S. EPA Region 6                                                                 U.S. EPA
Multimedia Planning and Permitting Division                                             Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-3 3

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
August 1999
Volatile PICs Most Frequently Present in Stack Gases
VOCs
Benzene
Toluene
Carbon Tetrachloride
Chloroform
Methylene Chloride
Trichloroethylene
Tetrachloroethylene
1,1,1 -Trichloroethane
Chlorobenzene
SVOCs
Naphthalene
Phenol
Bis(2-ethylhexyl)phthalate
Diethylphthalate
Butylbenzylphthalate
Dibutylphathlate



               Tests were conducted for three incinerator runs to search for constituents not listed in
               Appendix VIII.  These constituents include:
Non-Appendix VIII Constituents Present in Highest Concentrations in Stack Gases
Acetone
Ethylbenzene
Acetophenone
Benz aldehyde
Benzenedicarboxaldehyde
Benzoic acid
Chlorocyclohexanol
Cyclohexane
Cyclohexanol
Cyclohexene
Dioctyl adipate
Ethenyl ethylbenzene
Ethylbenzaldehyde
Ethylbenzoic acid
Ethylphenol
Ethylphenyl-ethanone
Ethynylbenzene
Phenylacetylene
1,1 '-(1 ,4-phenylene)bisethanone
Phenylpropenol
Propenyhnethylbenzene
Tetramethyloxirane
Trimethylhexane

               Emission rates of compounds not in the waste feed were also provided.

               U.S. EPA (1985) does not include a list of PICs from combustion sources. U.S. EPA
               (1985) discussed views and reviews by the Environmental Effects, Transport, and Fate
               Committee of the Science Advisory Board of issues related to the environmental impacts
               of the incineration of liquid hazardous wastes at sea and on land.  Several issues were
U.S. EPA Region 6                                                                 U.S. EPA
Multimedia Planning and Permitting Division                                              Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-34

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999
               addressed, including issues concerning the combustion and incineration of hazardous
               waste. Major findings of the committee were as follows:

                      Fugitive emissions and spills may release as much or more material to the
                      environment than the direct emissions from waste incineration processes.

                      Numerous PICs are formed during combustion processes. However, only a
                      fraction of them are identified or detected. It is possible that the aggregate of all
                      compound emissions that are not categorized as other POHCs or PICs can be
                      more toxic and pose greater risks than those listed. Although 99.99 percent DRE
                      has been claimed, if the unburned or undetected hydrocarbon output is included,
                      the DRE may actually  be less than 99.99 percent. Therefore, the concept of
                      destruction efficiency used by EPA was found to be incomplete and not useful
                      for subsequent exposure assessments. All emissions and effluents must be
                      identified and quantified, including their physical form and characteristics.

                      Local site-specific conditions must be used in characterizing exposure to
                      receptors from waste incinerator emissions.

                      The evaluation of exposure durations and concentrations should be based on a
                      detailed assessment of transport processes and the habits of the exposed
                      organisms.  The role of food chains needs particular attention.

                      At a minimum, the toxicities of representative emissions and effluents from
                      incinerators should be  tested on sensitive life stages of representative aquatic and
                      terrestrial vertebrates, invertebrates, and plants of ecological importance.

              U.S. EPA (1990b) does not include a list of PICs from combustion sources.  It was
               prepared by the PIC subcommittee of the Science Advisory Board to review the OSW
               proposal to control emissions of PICs from hazardous waste incinerators by instituting
               process controls that are based on CO and THC emission concentrations.  U.S. EPA risk
               assessments indicate that emissions of PICs at currently measured levels are not likely to
               produce unacceptable risks. However, because the current DRE standard  applies only to
               designated POHCs, 99.99 percent DRE does not preclude the possibility that emission of
               PICs could present significant  risk. The following summarizes the major findings of the
               subcommittee review.

                      The concept of using CO and THC as guidance for incinerator operational
                      control is reasonable.

                      At low CO levels, CO  correlates well with THC; therefore, limiting CO in order
                      to ensure high combustion efficiency and low THC levels is reasonable. At high
                      CO concentrations, CO and THC do  not correlate well; therefore,  relying solely
                      on the controlling of CO may not provide a reasonable control for THC.
                      Continuous emissions  monitoring of THC is preferred. Quantification of PICs
                      alone is not practical with the sampling techniques that are available, primarily
                      because PICs are normally emitted in the range of parts per billion (ppb) to parts
                      per trillion (ppt).
U.S. EPA Region 6                                                                 U.S. EPA
Multimedia Planning and Permitting Division                                             Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-3 5

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999
                      A 100-ppmv limit for CO is reasonable.  However, supporting documentation
                      does not demonstrate that a CO concentration of 100 ppmv is better than 50
                      ppmv or 150 ppmv.

                      Continuous emissions monitoring of THC with a cold system appears to be
                      practical for routine operations. However, a hot transfer line produces better
                      analysis of THC concentrations and detection of a larger fraction of the THCs
                      emitted.

                      The database characterizing PICs in emissions would not allow a correlation to
                      be established with CO or THC levels for various combustion devices and
                      conditions. Limited data introduces large uncertainties into U.S. EPA's risk
                      assessment. Therefore, U.S. EPA's site-specific risk assessment process is
                      limited in its usefulness in establishing acceptable THC levels.  However, the
                      risk assessment procedures are risk-based.

              U.S. EPA (1987) is a report prepared by Andrew R. Trenholm, Acurex Corporation,
               California, and staff members from the U.S. EPA Hazardous Waste Engineering
               Research Laboratory in Cincinnati, Ohio. The paper discussed the lack of information
               on total emissions from combustion of hazardous wastes, particularly under conditions of
               less than optimal performance. The focus issue was whether additional constituents that
               are listed in Appendix VIII or not listed in Appendix VIII which were not identified in
               early tests might be emitted from hazardous waste combustion units. To address this
               issue and related issues, U.S. EPA initiated this project to qualitatively and quantitatively
               study the characteristics of all possible effluents, under steady-state and transient
               conditions.  The following summarizes the major findings:

                      THC emissions detected as specific compounds ranged from 50  to 67 percent for
                      five runs and were 91 percent for one run. The fraction of THC  not detected is
                      most likely explained by uncertainty in the measurements or other analytical
                      problems.

                      Methane accounted for the largest fraction of THC.

                      Oxygenated aliphatic compounds made up the largest  class of compounds  among
                      the SVOCs, both in total mass and number of compounds.

                      Transient upsets did not cause significant increases in  the concentration of
                      SVOCs or most VOCs. Three VOCs that were increased were methane,
                      methylene chloride, and benzene.

                      Particulate and HC1 emissions did not change between the  steady-state and
                      transient test runs.

              Duval and Rubey (1976) was prepared by D.S. Duval and W.A. Rubey of the University
               of Dayton Research Institute, Ohio. The  objective of the study was to provide data from
               which requirements can be assigned for the thermal disposal of kepone.  This report was
               primarily concerned with the high-temperature destruction of kepone, with DDT and
               Mirex used as comparative Analog. Laboratory tests were conducted to  establish

U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-l-36

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

               destruction temperature characteristics of the vaporized pesticides at preselected
               residence times. The following summarizes the major findings.

                      Kepone was essentially destroyed at a 1-second residence time and a temperature
                      range of 500C to 700C, depending on the pesticide.

                      Major decomposition products detected were hexachlorocyclopentadiene and
                      hexachlorobenzene for both kepone and Mirex. These products were formed in
                      different thermal regions.

                      The study demonstrated that the chemical nature of the effluent products depends
                      on the temperature and residence time that the basic  molecule experiences.

              Duval and Rubey (1977) discusses the experimental destruction temperature and
               residence time relationships for various PCB compounds and mixtures of PCBs. The
               document states that "upon thermal stressing in air, PCBs decomposes to
               low-molecular-weight products."  However, the document does not identify any of these
               low-molecular-weight products.  In fact, the document states directly that the products
               were not identified in the study.  It further recommends that additional research be
               conducted on the "degradation products and effluents."

              Bellinger, Torres, Rubey, Hall, and Graham (1984) was prepared by Barry Bellinger and
               others of the University of Bayton, Ohio. This paper presented the gas-phase thermal
               stability method under controlled laboratory conditions to rank the incinerability of
               compounds.  The objective of this study was to determine the gas-phase thermal
               decomposition properties of 20 hazardous organic compounds.

               The compounds were selected on the basis of (1) frequency of occurrence in hazardous
               waste samples, (2) apparent prevalence in stack effluents, and (3) representativeness of
               the spectrum of hazardous waste organic waste materials.  The following summarizes the
               major findings.

                      Gas-phase thermal stability method is a more effective means of ranking the
                      incinerability of hazardous compounds in a waste.

                      Numerous PICs  were formed  during the thermal decomposition of most of the
                      compounds tested. However, PICs were not identified.

                      Bestruction efficiency of 99.99 percent is achieved at 2 seconds mean residence
                      time in flowing air at 600C to 950 C.

                      No single physical or chemical property describes the ranking scheme for
                      incinerability.

              Bellinger, Hall, Graham, Mazer, Rubey, and Malanchuk (1986) was prepared by Barry
               Bellinger, B. Bouglas, L. Hall, John L. Graham, Sueann L. Mazer, and Wayne A. Rubey
               of the University of Bayton Research  Institute, Bayton, Ohio, and Myron Malanchuk of
               U.S. EPA, Cincinnati, Ohio.  The paper discussed the development of an incineration
U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-l-37

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

               model based on laboratory studies conducted by using the nonflame mode of hazardous
               waste thermal decomposition. The results of these studies were compared to the
               flame-mode studies and field tests to evaluate the incineration model proposed. The
               model was based on the premise that incinerators do not operate continuously at
               optimum conditions.  As a result, 1 percent or more of the feed and its flame treatment
               products must undergo further decomposition in the nonflame region to meet the DRE
               criterion of greater than 99.99 percent.

               In the past, several methods were used to rank the incinerability of compounds.
               Nonflame studies, however, indicated that tests on compounds conducted at low oxygen
               concentrations provided a better correlation with field tests to determine the relative
               incinerability of compounds. Four experimental studies were conducted to develop and
               expand the database on POHCs and PICs.

               Studies were conducted on individual compounds to evaluate degradation compounds
               and PICs from the original parent compound. The thermal degradation of
               2,3',4,4',5-PCB was studied under four reaction atmospheres (at varying levels of
               oxygen) at a constant gas phase residence time of 2.0 seconds. Tests were conducted at
               temperatures ranging from 500C to 1,000C.  Tests indicated that the yield of
               combustion products decreased with increased oxygen levels. Numerous major
               degradation products were identified from the thermal degradation of 2,3',4,4',5-PCB,
               including:

                     Penta-, tetra-, and trichlorodibenzofurans
                     Tetra- and trichlorobiphenyls
                     Tri- and dichlorobenzene
                     Tetra- and trichloronaphthalene
                     Tri- and dichlorochlorophenylethlyene
                     Tetrachlorobiphenylenes
                     C9H8OC1
                     C10H3C13

               Thermal decomposition of chloroform was studied. Numerous decomposition products
               were identified, including:

                     CC14
                     C2H4C12
                     C2HC13
                     C2HC15
                     C2C12
                     C2C14
                     C3C14
                     C4C16

               Thermal decomposition of poly chlorinated phenols was  studied in nitrogen (N2) and
               oxygen atmospheres because of the potential formation of poly chlorinated
               dibenzodioxins.  Pentachlorophenol (PCP) thermal decomposition was studied.
               Numerous decomposition products of PCP were identified in N2 and/or air atmospheres,
               including:

U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-3 8

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

                      Dichlorobutadiyne (in N2)
                      Tetrachloroethylene (in air)
                      Tetrachloropropyne  (in air)
                      Trichlorofuran (in air)
                      Tetrachlorofuran (in air)
                      Trichlorobenzene (in N2 and air)
                      Tetrachlorobenzene  (in N2 and air)
                      Pentachlorobenzene (in N2 and air)
                      Hexachlorobenzene  (in N2)
                      Octachlorostyrene (in N2)
                      Hexachlorodihydronaphthalene (in N2 and air)

               The paper concluded that PICs in the air atmosphere may have formed directly from the
               parent material, whereas, in the nitrogen atmosphere, the principal PICs may have
               evolved from the thermal decomposition of other PICs.

              Kramlich, Seeker, and Heap (1984) does not include a list of PICs from combustion
               sources. It was prepared by J.C. Kramlich, W.R. Seeker, and M.P. Heap of Energy and
               Environmental Research Corporation, California; and C.C. Lee of the Industrial Waste
               Combustion Group, U.S. EPA.  This paper presented a research program to study the
               flame-mode incineration of hazardous waste liquids in laboratory scale reactors.  The
               objective of this study was to supply the flame-mode data that will be used in evaluating
               the applicability of various approaches to ranking the ease of incinerability.

               Five compounds were testedchloroform, 1,1-dichloroethane,  benzene, acrylonitrile, and
               chlorobenzenebecause (1) their range of incinerabilities is broad, and (2) they are
               representative of liquid hazardous wastes. The following summarizes the findings.

                      The flame section of the incinerator destroys greater than 99.995 percent of the
                      wastes.

                      The post-flame region destroys the remainder of the wastes.

                      The destruction efficiency is reduced because of flame-related failures.

                      Incinerability ranking depends on actual failure condition.

                      No incinerability ranking system completely predicts the destruction efficiency
                      of the compounds tested for all failure conditions.

              Trenholm and Hathaway (1984) was prepared by Andrew Trenholm and Roger
               Hathaway of Midwest Research Institute (MRI) in Missouri, and Don Oberacker, U.S.
               EPA, Cincinnati, Ohio.  PICs were defined as any Appendix VIII hazardous organic
               constituent detected in the stack gas but not present in the waste feed at a concentration
               of 100 micrograms per gram or higher. Benzene and chloroform were the most
               commonly found PICs.  PIC emissions were comparable to POHC emissions in
               concentration and total mass output. This document discussed PIC formation
               mechanisms and criteria for PIC formations.
U.S. EPA Region 6                                                                 U.S. EPA
Multimedia Planning and Permitting Division                                             Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-3 9

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

               MRI conducted a series of tests at eight operating hazardous waste incineration facilities
               and analyzed the collected samples for PICs. These tests were conducted as part of the
               technical support of U.S. EPA's preparation of a regulatory impact analysis for
               hazardous waste incinerators. Each incinerator had a liquid injection burner, and some
               facilities also included a rotary kiln or hearth.  Three incinerators had no air pollution
               control devices. The remaining five had wet scrubbers for HC1 control, and four of these
               had other particulate control devices. Twenty-nine compounds were classified as PICs
               from the eight incinerator tests and are presented in Table Al .6-1. In general, PIC
               concentrations were slightly higher than POHC concentrations, although this ratio varied
               from site to site. PIC  output rate very rarely exceeded 0.01 percent of the POHC input
               rate. The document stated that the measurement of Appendix VIII compounds at low
               concentrations in the waste feed, auxiliary fuel, and inflow streams to control systems  is
               often necessary to explain the presence of PICs.

              Olexsey, Huffman,  and Evans (1985) was prepared by Robert A. Olexsey and others of
               the U.S. EPA Hazardous Waste Engineering Research Laboratory in Cincinnati, Ohio.
               This document discussed PIC generation mechanisms and criteria for PIC formations.
               The paper provided data on emissions of PICs during full-scale tests conducted on
               incinerators and boilers burning hazardous waste (Trenholm and others 1984; Castaldini
               and others  1984). The documents referenced by this paper summarized a series of
               full-scale tests conducted on seven incinerators and five boilers conducted by U.S. EPA
               to support its regulatory development for incinerators and boilers. Commonly found
               PICs identified in these tests are presented in Tables Al.6-2 and Al.6-3.

              For incinerators, ratios of PIC emissions to POHC input ranged from 0.00007 to
               0.0028 percent; and ratios of PIC emissions to POHC emissions ranged from 0.01 to
               3.89. For boilers, ratios of PIC emissions to POHC input ranged from  0.0032 to
               0.3987 percent, and ratios of PIC emissions to POHC emissions ranged from 5.44 to
               22.5. These data indicated that PIC emissions were higher for boilers than for
               incinerators; that is, PIC emissions were reduced with increased POHC DRE which is
               higher for incinerators. The document proposed seven methods to control PICs and
               recommended further research on PIC generation mechanisms and control technologies.
              Trenholm,  Kapella, and Hinshaw (1992) was prepared by Andrew R. Trenholm and
               David W. Kapella of MRI in North Carolina and Gary D. Hinshaw of MRI in Missouri.
               The paper discusses the following issues regarding emissions from incinerators that burn
               hazardous waste: (1)  emissions of specific constituents presented in Appendix VIII,
               (2) emissions of specific  compounds or types of compounds, and (3) data on the size and
               molecular weight of compounds  emitted. The following were among the major issues
               discussed.

                      PICs were studied through U.S. EPA-sponsored tests at eight incinerators, nine
                      industrial boilers, and five mineral processing kilns.  The study was limited to
                      compounds presented in  Appendix VIII. In all, 52 organic compounds
                      (32 VOCs and 20 SVOCs) were identified.  The VOC concentrations were
                      significantly higher than the SVOC concentrations. PICs listed in this paper
                      included benzene, toluene, carbon tetrachloride, trichloromethane,
                      dichloromethane, trichloroethene, tetrachloroethene, 1,1,1-trichloroethane,
                      cholorobenzene,  naphthalene, and phenol.
U.S. EPA Region 6                                                                 U.S. EPA
Multimedia Planning and Permitting Division                                             Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-40

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
                                                                August 1999
                                          TABLE Al.6-1
                 PICS IDENTIFIED BY TRENHOLM AND HATHAWAY (1984)
PICs Found In Stack Effluents
PIC
Benzene
Chloroform
Bromodichloromethane
Dibromochloromethane
Naphthalene
Bromoform
Chlorobenzene
Tetrachloroethylene
1,1,1 ,-Trichloroethane
Toluene
o-Nitrophenol
Methylene chloride
Phenol
2,4,6-Trichlorophenol
Carbon disulfide
o-Chlorophenol
2,4-Dimethylphenol
Methylene bromide
Bromochloromethane
Trichlorobenzene
Hexachlorobenzene
Diethyl phthalate
Pentachlorophenol
Dichlorobenzene
Chloromethane
Methyl ethyl ketone
Bromomethane
Pyrene
Fluoranthene
Number of Facilities
6
5
4
4
3
3
3
3
3
2
2
2
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
Low Concentration (ng/L)
12
1
3
1
5
0.2
1
0.1
0.1
2
2
2
4
110
32
22
21
18
14
7
7
7
6
4
3
3
1
1
1
High Concentration (ng/L)
670
1,330
32
12
100
24
10
2.5
1.5
75
50
27
22
110
32
22
21
18
14
7
7
7
6
4
3
3
1
1
1
Notes:
        ng/L
        PIC
Nanograms per liter
Product of incomplete combustion
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                           U.S. EPA
                                                           Office of Solid Waste
                                                                       A-l-41

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
                                                            August 1999
                                       TABLE Al.6-2

       VOLATILE PICS MOST FREQUENTLY IDENTIFIED IN BOILER EMISSIONS
                          (OLEXSY, HUFFMAN, AND EVANS 1985)
PIC
Chloroform
Tetrachloroethylene
Chloromethane
Methylene chloride
Benzene
1,1,1 -Trichloroethane
1 ,2-Dichloroethane
Number of Facilities
5
5
4
4
3
3
3
Low Concentration
(ng/L)
4.2
0.3
4.6
83
9.4
5.9
1.3
High Concentration
(ng/L)
1,900
760
410
2,000
270
270
1,200
Notes:
       ng/L   =
Nanograms per liter
                              \f ir
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                       U.S. EPA
                                                       Office of Solid Waste
                                                                  A-1-42

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
    August 1999
                                      TABLE Al.6-3

   VOLATILE PICS MOST FREQUENTLY IDENTIFIED IN INCINERATOR EMISSIONS
                         (OLEXSY, HUFFMAN, AND EVANS 1985)
PIC
Benzene
Chloroform
Tetrachloroethylene
1,1,1 -Trichloroethane
Toluene
Methylene chloride
Number of Facilities
6
5
3
3
2
2
Low Concentration
(ng/L)
12
1
0.1
0.1
2
2
High Concentration
(ng/L)
670
1,330
2.5
1.5
75
27
Notes:
       ng/L   =     Nanograms per liter
       PIC    =	Product of incomplete combustion
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
U.S. EPA
Office of Solid Waste
          A-l-43

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999
                      From the U.S. EPA-sponsored tests, (1) volatile compounds listed in Appendix
                      VIII identified were only a fractionsometimes about one-halfof the total
                      organic compounds identified, and (2) semivolatile compounds not listed in
                      Appendix VIII identified were three to 30 times the quantity of organic
                      compounds listed in Appendix VIII. Table A 1.6-4 lists the compounds
                      identified by the U.S. EPA-sponsored tests.

                      A study of hazardous waste incinerator stack effluent was conducted to
                      characterize the types of compounds emitted.  Twenty-nine compounds were
                      identified at a concentration range of 0.1 to 980 nanograms per liter. Methane,
                      chloromethane, and chloroform accounted for more than one-half of the total
                      mass of VOCs detected.  Other than methane, oxygenated aliphatic hydrocarbons
                      formed the highest fraction of the total emissions.

                      Based on the  incinerator stack effluent study, it was found that as combustion
                      conditions deteriorate, increases in mass emissions are first noted with VOCs.
                      Emissions of these compounds, most notably Cl to C3 compounds, increase
                      proportionately more than larger compounds.  For larger compounds, available
                      data indicate that emission increases are more likely to be aromatic compounds.

Al.6.3 CARB(1990b)

CAPvB prepared "Technical Support Document of Proposed Dioxins Control Measures for Medical
Waste Incinerators" to meet the requirements of California Health and Safety Code  Section 39666 that a
needs report be prepared for proposed rules. The report presents a proposed airborne toxic control
measure for dioxin emissions from medical waste-burning facilities. The report concentrates on dioxin,
furan, and cadmium emissions, although other pollutants detected during the tests are listed. Table
Al.6-5 lists these pollutants.

Al.6.4 CARB(1991)

CARB prepared "Air Pollution Control at Resource Recovery Facilities 1991 Update" to update
information presented in its 1984  report, entitled "Air Pollution Control at Resource Recovery Facilities."
Specifically, the document updates available guidelines concerning incinerator technology, emissions
control technology, and emission  limits for municipal waste, hospital waste, biomass, tire, manure,
landfill and digester gas, and sewer sludge incinerators.  The document states that its guidelines
represent levels that have been achieved by existing facilities.

In addition, the document summarizes the ultimate analysis of waste types  undergoing treatment in  the
facilities described above.  An appendix summarizes stack gas analysis data for numerous operating
facilities.  Pollutants identified in  the analyses are summarized in Table A 1.6-6.
U.S. EPA Region 6                                                                 U.S. EPA
Multimedia Planning and Permitting Division                                             Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-1-44

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
                                                       August 1999
                                             TABLE Al.6-4
                             MOST FREQUENTLY IDENTIFIED PICS
                         (TRENHOLM, KAPELLA, AND HINSHAW 1992)
                Appendix VIII
               Volatile Organic
                 Compounds
       Appendix VIII
    Semivolatile Organic
        Compounds
    Compounds Not Listed
      in Appendix VIII
          1,1,1 -Trichloroethane
          Benzene
          Carbon tetrachloride
          Chlorobenzene
          Chloroform
          Methylene chloride
          Tetrachloroethylene
          Toluene
          Trichloroethylene
Bis(2-Ethylhexyl)phthalate
Butylbenzylphthalate
Dibutylphtahlate
Diethylphthalate
Naphthalene
Phenol
1,1 '-(1,4-Phenylene)bisethanone
Acetone
Acetophenone
Benzaldehyde
Benzenedicarboxaldehyde
Benzoic acid
Cyclohexanol
Chlorocyclohexanol
Cyclohexane
Ethylbenzene
Ethylbenzoic acid
Ethylphenol
Ethylphenyl-ethanone
Ethynylbenzene
Phenylpropenol
Propenyhnethylbenzene
Tetramethyloxirane
Trimethylhexane
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                  U.S. EPA
                                                  Office of Solid Waste
                                                              A-l-45

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
    August 1999
                                        TABLE Al.6-5
                           COPCS IDENTIFIED BY CARB (1990b)
COPC
Ammonia
Arsenic
Benzene
Bromodichloromethane
Cadmium
Carbon dioxide
Carbon monoxide
Carbon tetrachloride
Chlorobenzenes
Chlorodibromomethane
Chloroform
Chlorophenols
Chromium, hexavalent
Chromium, total
Copper
Cumene
1 ,2-Dibromoethane
Dichloroethane
Dichloromethane
1 ,2-Dichloropropane
Ethylbenzene
Freon
Hydrocarbon, total
Hydrogen chloride
Hydrogen fluoride
Iron
Lead
Manganese
Mercury
Mesitylene
Methyl isobutyl ketone
Napthalene
Nickel
Nitrogen oxides
PM
PAHs
Sulfur dioxide
Tetrachloroethene
Tetratrichloromethylene
Toluene
Tribromomethane
Trichlorethane
1,1,1 -Trichloroethane
Trichloroethylene
Trichlorotrifluroethane
Vinyl chloride
Xylenes
Zinc
Notes:
PAH = Polynuclear aromatic hydrocarbons
PM = Particulate matter
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
U.S. EPA
Office of Solid Waste
           A-1-46

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	
    August 1999
                                        TABLE Al.6-6

                               STACK GAS ANALYSIS DATA
                                         (CARB 1991)

                                         (Page 1 of 2)
Pollutant
Nitrogen oxides
Sulfur oxides
Particulate matter
Carbon monoxide
Total hydrocarbons
Hydrogen chloride
Hydrogen fluoride
Amonnia
Carbon dioxide
Oxygen
Arsenic
Beryllium
Cadmium
Chromium (total)
Chromium (hexavalent)
Copper
Mercury
Iron
Manganese
Nickel
Lead
Zinc
Polyaromatic
hydrocarbons b
Polychlorinated
biphenyls b
CPb
CBb
Benzene
Polychlorinated
dibenzo(p) dioxins b
Polychlorinated
dibenzofurans b
2,3,7,8-Tetrachloro
dibenzo(p)dioxin
equivalents b
Incinerator Type a
Municipal
Waste
(5)







NA






ND


NA
NA


NA








Hospital
Waste
(7)






NA
NA



NA



NA

NA
NA


NA
NA
ND
NA
NA




Biomass
(4)

ND



NA
NA




NA


NA
NA
NA




NA








Manure
(1)





NA
NA
NA


NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Tire
(1)






NA





ND


NA
ND
NA
NA
ND
ND
NA




NA



Landfill Gas
(20)





NA
NA
NA
NA
NA

 b
 b

NA


NA
NA



NA
NA
NA
NA
NA
NA
NA
NA
Sewage
Sludge and
Digester Gas
(5)





NA
NA
NA






NA
NA

NA
NA


NA
NA
NA
NA
NA
NA
NA
NA

U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
U.S. EPA
Office of Solid Waste
           A-1-47

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

                                            TABLE Al.6-6

                                   STACK GAS ANALYSIS DATA
                                             (CARB 1991)

                                              (Page 2 of 2)
Notes:

      =       Detected in at least one emission test
ND     =       Not detected in any emission test
NA     =       No analysis

a       Number in parentheses indicates the number of facilities for which data were tabulated.
b       Isomers and/or homologues that were not detected were added to total values at one-half the detection limit;
        pollutant may not have actually been detected.
U.S. EPA Region 6                                                                      U.S. EPA
Multimedia Planning and Permitting Division                                                 Office of Solid Waste
Center for Combustion Science and Engineering                                                           A-l-48

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

Al.6.5 U.S. EPA (1988)

This document, referenced by some documents as a 1989 document, was prepared in 1988.

U.S. EPA prepared "Hospital Waste Combustion Study: Data Gathering Phase" to assemble available
information on hospital waste combustion so that U.S. EPA can evaluate whether airborne pollutant
emissions from hospital waste combustion should be regulated. While preparing this document, U.S.
EPA reviewed the pertinent literature to determine which studies would be helpful in completing the
database on toxic emissions from medical waste incinerators.  The report clearly addresses only those
pollutants for which emissions data were found. The data reviewed were mostly for larger, controlled air
incinerators; and the more commonly used retort incinerators were not evaluated.

The study identified several categories of pollutants that were measured  in stack gases; these are
discussed in the following paragraphs.

Where evaluated, acid gases were detected in stack gases.  For example, HC1 was detected in 24 of 28
tests; HC1 concentration not recorded in the remaining four tests.

Particulate matter (PM) was detected in all stack tests for 30 facilities at concentrations ranging from
0.001 grains per dry standard cubic foot (gr/dscf), at a facility with PM add-on control devices, to
0.22 gr/dscf at facilities without such control devices.

Trace metals were detected in stack tests for three medical waste incineration facilities.  Metals  detected
include arsenic, cadmium, chromium, iron, manganese, nickel, and lead. The document also states that
fine-particle enrichment processes could lead to emissions of molybdenum, tin, selenium, vanadium, and
zinc.  However, test results for these trace metals are not presented.

With respect to organic emissions, dioxins and furans were detected in emissions from three facilities,
both with and without pollution control devices. Other organic emissions detected in stack tests cited in
this report include CO, THC, trichlorotrifluoroethane, tetrachloromethane, tetrachloroethene, and
trichloroethylene.

In a stack testing conducted on three Canadian biomedical waste incinerators, PCBs and PAHs were
either not detected (one facility) or not analyzed (two facilities).

Al.6.6 CARB(1996)

In May 1996, CARB prepared "Proposed Amendments to the Emission Inventory  Criteria and Guidelines
Report Published in Accordance with the Air Toxics 'Hot Spots' Information and Assessment Act of
1987." The purpose of the report is to present the basis of CARB's recommended amendments to the Air
Toxics Hot Spots Program. The report states that  California Health and  Safety Code (HSC) 44321
requires CARB to compile the list of toxic substances that must be monitored from "designated reference
lists of substances." Therefore, the document is not a primary source of toxics emission information.
The primary sources of information are mandated by California HSC 44321, as follows:

              California HSC 44321(a): National Toxicology Program,  International Agency for
               Research on Cancer

              California HSC 44321(b): Governor's List of Carcinogens and Reproductive Toxicants

U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                             Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-l-49

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

              California HSC44321(c): CARB

              California HSC 44321(d): Hazard Evaluation System and Information Service

              California HSC 44321(e): U.S. EPA

              California HSC 4432 l(f): California HSC

The lists of toxic substances presented in the document are not restricted to incinerator facilities, but
apply to any facility discharging airborne pollutants to the atmosphere.  The document also removes
numerous substances, primarily medicinal compounds, from lists of toxic chemicals that must always be
evaluated, and places them on lists of toxic compounds that require evaluation only if a facility
manufactures that substance.

A1.7   COLUMN 7:  U.S. EPA-RECOMMENDED AND POTENTIAL PICS (1994a; 1994b)

Compounds marked with an "X" in the appropriate cells are identified in U.S. EPA (1994a and 1994b).
Based on information presented in U.S. EPA (1994b), these tables were developed from available U.S.
EPA data and from lists of toxic compounds from various U.S. EPA programs.  Because the source lists
were not developed as lists of toxic PICs, U.S. EPA deleted compounds that were not appropriate  (U.S.
EPA 1994b).  U.S. EPA acknowledged the importance of using focused studies to develop a PIC list that
is (1) appropriately protective of the environment, and (2) not excessively burdensome on the regulated
community.  Nevertheless, Tables 1 and 2 in U.S. EPA (1994b) were  compiled as draft lists for use
during the interim period.  Tables in U.S. EPA (1994b) were to be revised as additional PIC data were
collected.  U.S. EPA Permits and State Program Division is currently updating these tables; however, a
target completion date is not available. Tables 1 and 2 are based on the following (U.S. EPA 1994b):

              Hazardous waste constituent list in 40 CFR Part 261, Appendix VIII

              hazardous air pollutants (HAP) list

              Office of Research and Development list of organic compounds found in combustion
               devices developed for U.S. EPA (1993)

The following compounds were deleted from this list:

              Pesticide compounds not likely to be a PIC

              Federal Drug Administration-regulated drugs

              Carcinogenic sugar substitutes

              Compounds without chemical-specific listings (for example, "coal tar")

              Compounds without U.S. EPA-established sampling and analysis methods

              Metallic compounds (because of difficulty in analyzing the specific compounds; metals
               are still included in elemental totals)
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-l-50

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

              Compounds with low octanol-water partition coefficients and no inhalation toxicity data

              Compounds with low toxicity values

              Naturally-occurring plant toxins

Specific compounds were retained on Tables 1 and 2 on the following basis:

              Pesticides with a molecular structure simple enough to be of concern as a PIC

              Compounds with very high octanol-water partition coefficients

A1.8   COLUMN 8:  PICS ACTUALLY DETECTED IN STACK EMISSIONS

Compounds marked by an "X" in the appropriate cells are PICs that have actually been detected in stack
emissions.  U.S. EPA compiled this list by evaluating the studies highlighted in Section A1.6.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-1 -51

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999
California Air Resources Board (CARB).  1990a.  "Health Risk Assessment Guidelines for
       Nonhazardous Waste Incinerators."  Prepared by the Stationary Source Division of the CARB
       and the California Department of Health Services.

CARB.  1990b.  "Technical Support Document of Proposed Dioxins Control Measures for Medical
       Waste Incinerators."  May 25.

CARB.  1991.  "Air Pollution Control at Resource Recovery Facilities.  Update."

CARB.  1996.  "Proposed Amendments to the Emission Inventory Criteria and Guidelines Report
       Published in Accordance with the Air Toxics 'Hot Spots' Information and Assessment Act of
       1987." May.

Castaldini, C., and others. 1984. "Engineering Assessment ReportHazardous Waste Cofiring in
       Industrial Boilers." Report to U.S. Environmental Protection Agency under Contract No.
       68-02-3188. June.

Dellinger, B., D.L. Hall, J.L. Graham, S.L. Mazer, W.A. Rubey, and M. Malanchuk.  1986.  PIC
       Formation  Under Pyrolytic and Starved Air Conditions.. Prepared for the U.S. EPA Industrial
       Environmental Research Laboratory. Prepared by the University of Dayton Research Institute.
       EPA/600/2-86/006. NTIS PB-86-145422.  January.

Dellinger, B., J.L. Torres, W.A. Rubey, D.L. Hall, and J.L. Graham.  1984.  Determination of the
       Thermal Decomposition Properties of 20 Selected Hazardous Organic Compounds.  Prepared for
       the U.S. EPA Industrial Environmental Research Laboratory. Prepared by the University of
       Dayton Research Institute.  EPA-600/2-84-138. NTIS PB-84-232487. August.

Demsey,  C.R., and E.T. Oppelt.  1993.  "Incineration of Hazardous Waste: A Critical Review Update."
       Air and Waste. 43:25-73.

Duval, D.S., and W.A. Rubey.  1976.  Laboratory Evaluation of High-Temperature Destruction  of
       Kepone and Related Pesticides. EPA-600/2-76-299.  NTIS PB-264892/1.  December.

Duval, D.S., and W.A. Rubey.  1977.  Laboratory Evaluation of High-Temperature Destruction  of
       Poly'chlorinated Biphenyls and Related Compounds.  EPA-600/2-77-228. NTIS PB-279139/0.
       December.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-1-5 3

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

Kramlich, J.C., W.R. Seeker, and M.P. Heap. 1984. "Laboratory-Scale Flame Mode Study of
       Hazardous Waste Incineration."  Proceedings of the Ninth Annual Research Symposium on
       Incineration and Treatment of Hazardous Waste. Fort Mitchell, Kentucky. May 2 through 4,
       1983. EPA-600/9-84/015. NTIS PB-84-234525. Pages 79-94. July.

Olexsey, R.A., G.L. Huffman, and G.M. Evans. 1985.  "Emission and Control of By-Products from
       Hazardous Waste Combustion Processes." Proceedings of the llth Annual Research Symposium
       on Incineration and Treatment of Hazardous Waste. Cincinnati, Ohio.  April 29 to May 1,
       1985. EPA-600/9-85/028. NTIS PB-86-199403. Pages 8-15. September.

Trenholm, A., and R. Hathaway.  1984. "Products of Incomplete Combustion from Hazardous Waste
       Incinerators." Proceedings of the 10th Annual Research Symposium on Incineration and
       Treatment of Hazardous Waste. Fort Mitchell, Kentucky. April 3-5.  EPA-600/9-84/022. NTIS
       PB-85-116291. Pages 84-95. September.

Trenholm, Andrew R., David W. Kapella, and Gary D.  Hinshaw. 1992. "Organic Products of
       Incomplete Combustion from Hazardous Waste Combustion." Proceedings of the Air and
       Waste Management Association 85th Annual Meeting and Exhibition. Kansas City, Missouri.
       June 21-26.

Trenholm, A., and C.C. Lee. 1986. "Analysis  of PIC and Total Mass Emissions from an Incinerator."
       Proceedings of the Twelfth Annual Research Symposium on Land Disposal, Remedial Action,
       Incineration, and Treatment of Hazardous Waste.  Cincinnati, Ohio. April 21 to 23, 1986.
       EPA/60-9-86/022.  Pages 376-381.  August.

Trenholm, A., and others.  1984.  "Performance Evaluation of Full-Scale Hazardous Waste Incinerators."
       Report to U.S. EPA under Contract No. 68-02-3177.

U.S. Environmental Protection Agency (EPA). 1981. "Incinerator Standards for Owners and  Operators
       of Hazardous Waste Management Facilities; Interim Final Rule and Proposed Rule." Federal
       Register. 46(15):7666-7690.  January 23.

U.S. EPA.  1985. Report on the Incineration of Liquid Hazardous Wastes.  Science Advisory Board.
       Environmental Effects, Transport, and  Fate Committee. April.

U.S. EPA.  1987. Total Mass Emissions from a Hazardous Waste Incinerator. Final Report.  Midwest
       Research Institute.  EPA-600/S2-87/064. NTIS PB-87-228508/AS.  June 12.

U.S. EPA.  1988. "Hospital Waste Combustion Study:  Data Gathering Phase."  Office of Air Quality
       Planning and Standards. Research Triangle Park, North Carolina.  EPA-450/3-88-008.
       December.

U.S. EPA.  1989. Guidance of PIC Controls for Hazardous Waste Incinerators.  Volume V of the
       Hazardous Waste Incineration Guidance Series. EPA/530-SW-90-040. April 3.

U.S. EPA.  1990a. "Standards for Owners and Operators of Hazardous Waste Incinerators and Burning
       of Hazardous Wastes in Boilers and Industrial Furnaces; Proposed Rule, Supplemental Proposed
       Rule, Technical Corrections, and Request for Comments." Federal Register.
       55(82):17862-17921.  April 27.
U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                    A-1-54

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-l	August 1999

U.S. EPA. 1990b. Report of the Products of Incomplete Combustion Subcommittee of the Science
       Advisory Board; Review of OSWProposed Controls for Hazardous Waste Incineration Products
       of Incomplete Combustion.  EPA-SAB EC-90-004. October 24.

U.S. EPA. 1993. Review Draft Addendum to the Methodology for Assessing Health Risks Associated
       with Indirect Exposure to Combustor Emissions. OHEA. ORD. EPA-600-AP-93-003.
       November 10.

U.S. EPA. 1994a. Revised Draft Guidance for Performing Screening Level Risk Analyses at
       Combustion Facilities Burning Hazardous Wastes: Attachment C, Draft Exposure Assessment
       Guidance for RCRA Hazardous Waste Combustion Facilities.  Office of Emergency and
       Remedial Response (OERR).  OSW. December 14.

U.S. EPA. 1994b. "Table 1Chemicals Recommended for Identification and Table 2Chemicals for
       Potential Identification."  Draft Exposure Assessment Guidance for Resource Conservation and
       Recovery Act Hazardous Waste Combustion Facilities: Attachment. April 15.

U.S. EPA. 1995. "Basis for Listing Hazardous Waste.: Title 40, Code of Federal Regulations, Part 261,
       Appendices VII and VIII.
U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                    A-1-5 5

-------
             APPENDIX A-2




 COMPOUND SPECIFIC PARAMETER VALUES




Screening Level Ecological Risk Assessment Protocol




                August 1999

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

                                    APPENDIX A-2

                                TABLE OF CONTENTS

Section                                                                             Page

LIST OF VARIABLES AND COMPOUND-SPECIFIC PARAMETERS	A-2-ii

A2.1   GUIDANCE DOCUMENTS AS PRIMARY REFERENCE SOURCES	 A-2-1

A2.2   GENERAL ANALYSIS AND METHODOLOGY	 A-2-2

A2.3   PHYSICAL AND CHEMICAL PROPERTIES 	 A-2-3

       A2.3.1        Molecular Weight (MW)  	 A-2-3
       A2.3.2        Melting Point Temperature (Tm)	 A-2-4
       A2.3.3        Vapor Pressure  (Vp) and Aqueous Solubility (S)  	 A-2-4
       A2.3.4        Henry's Law Constant (H)	 A-2-6
       A2.3.5        Diffusivity of COPCs in Air (Da) and Water (Dw)  	 A-2-7
       A2.3.6        Octanol-Water Partitioning Coefficient (Kov)	 A-2-8
       A2.3.7        Organic Carbon Partition Coefficient (Koc)	  A-2-10

                    A2.3.7.1       Ionizing Organic Compounds	  A-2-10
                    A2.3.7.2       Nonionizing Organic Compounds	  A-2-10

       A2.3.8        Partitioning Coefficients for Soil-Water (KdJ, Suspended Sediment-Surface
                    Water (Kdsw), and Bottom Sediment-Sediment Pore Water (Kdbs)	  A-2-12
       A2.3.9        COPC Soil Loss Constant Due to Biotic and Abiotic Degradation	  A-2-14
       A2.3.10       Fraction of COPC Air Concentration in the Vapor Phase (Fv)  	  A-2-15

REFERENCES	  A-2-17

TABLES OF COMPOUND-SPECIFIC  PARAMETER VALUES  	  A-2-25
U.S. EPA Region 6                                                           U.S. EPA
Multimedia Planning and Permitting Division                                         Office of Solid Waste
Center for Combustion Science and Engineering                                                  A-2-i

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

                                        APPENDIX A-2

             LIST OF VARIABLES AND COMPOUND-SPECIFIC PARAMETERS

pair            =      Density of air (g/cm3)
Pforage          =      Density of forage (g/cm3)

Babeef          =      Biotransfer factor in beef
                      (mg COPC/kg FW tissue)/(mg COPC/day) OR (day/kg FW tissue)
Bachicken        =      Biotransfer factor in chicken
                      (mg COPC/kg FW tissue)/(mg COPC/day) OR (day/kg FW tissue)
Baegg          =      Biotransfer factor in eggs
                      (mg COPC/kg FW tissue)/(mg COPC/day) OR (day/kg FW tissue)
Bamiik          =      Biotransfer factor in milk
                      (mg COPC/kg FW tissue)/(mg COPC/day) OR (day/kg FW tissue)
Bapork          =      Biotransfer factor in pork
                      (mg COPC/kg FW tissue)/(mg COPC/day) OR (day/kg FW tissue)
BAFfish         =      Bioaccumulation factor in fish
                      (mg COPC/kg FW tissue)/(mg COPC/L total water column)
                      OR (L water/kg FW tissue)
BCFfish         =      Bioconcentration factor in fish (L/kg FW OR unitless)
Brag           =      Plant-soil bioconcentration factor in aboveground produce
                      (Mg COPC/g DW plant)/(Mg COPC/g DW soil)unitless
Bt'fomge/siiage      =      Plant-soil bioconcentration factor in forage and silage
                      (Mg COPC/g DW plant)/(Mg COPC/g DW soil)unitless
Brgrain          =      Plant-soil bioconcentration factor in grain
                      (Mg COPC/g DW grain)/(Mg COPC/g DW soil)unitless
Brrootveg         =      Plant-soil bioconcentration factor for belowground produce
                      (Mg COPC/g DW plant)/(Mg COPC/g DW soil)unitless
BSAF-flsh        =      Biota-sediment accumulation factor in fish
                      (mg COPC/kg lipid tissue)/(mg COPC/kg sediment)unitless
Bvol            =      Volumetric air-to-leaf biotransfer factor in leaf
                      (Mg COPC/L FW plant)/(Mg COPC/L air)unitless
Bvag           =      COPC air-to-plant biotransfer factor for aboveground produce
                      (Mg COPC/g DW plant)/(Mg COPC/g air)unitless
BVfomge/siiage      =      Air-to-plant biotransfer factor in forage and silage
                      (Mg COPC/g DW plant)/(Mg COPC/g air)unitless

c              =      Junge constant = 1.7 x 10~04 (atm-cm)

Da             =      Diffusivity of COPC in air (cm /s)
Dw            =      Diffusivity of COPC in water (cm /s)

fOCtbs           =      Fraction of organic carbon in bottom sediment (unitless)
fOC:S            =      Fraction of organic carbon in soil (unitless)
fOCtSW           =      Fraction of organic carbon in suspended sediment (unitless)
fwater           =      Fraction of COPC in water (unitless)
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-ii

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                             August 1999
Fw

H

Inhalation
CSF
Inhalation
URF

Kd
ksg

MW

PL
Ps

Oral CSF

R
RCF

RfC
RfD
Rp

S
ASf
ST
Fraction of COPC air concentration in vapor phase (unitless)
Fraction of wet deposition that adheres to plant surfaces (unitless)

Henry's law constant

Inhalation cancer slope factor (mg/kg-day)"1

Inhalation unit risk factor ((jg/m3)"
Soil-water partition coefficient (mL water/g soil OR cm3 water/g soil)
Suspended sediment-surface water partition coefficient
(L water/kg suspended sediment OR cm3 water/g suspended sediment)
Bed sediment-sediment pore water partition coefficient
(L water/kg bottom sediment OR cm3 water/g bottom sediment)
Octanol/water partitioning coefficient
(mg COPC/L octanol)/(mg COPC/L octanol)unitless
Soil organic carbon-water partition coefficient (mL water/g soil)
COPC soil loss constant due to biotic and abiotic degradation (yr"1)

Molecular weight of COPC (g/mole)

Liquidphase vapor pressure of COPC (atm)
Solid-phase vapor pressure of COPC (atm)

Oral cancer slope factor (mg/kg-day)";

Universal gas constant (atm-m3/mol-K)
Root concentration factor
(Hg COPC/g DW plant)/((ig COPC/mL soil water)
Reference concentration (mg/m3)
Reference dose (mg/kg/day)
Interception factor of edible portion of plant (unitless)

Solubility of COPC in water (mg COPC/L water)
Entropy effusion [ASf/R = 6.79 (unitless)]
Whitby's average surface area of particulates (aerosols)
= 3.5 x 10~06 cm2/cm3 air for background plus local sources
= 1.1 x 10~05 cm2/cm3 air for urban sources
tin
TEF

Vp
Half-time of COPC in soil (days)
Ambient air temperature (K)
Melting point temperature (K)
Toxicity equivalency factor (unitless)

Vapor pressure of COPC (atm)
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                         U.S. EPA
                                                         Office of Solid Waste
                                                                    A-2-iii

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

                                      APPENDIX A-2

The following sections provide the methodology and rationale followed for the selection or development
of compound-specific parameter values recommended by U.S. EPA OSW.  Compound-specific values
are provided for (1) physical and chemical properties, (2) fate-and-transport parameters, and (3) health
benchmarks. A summary table of all compound-specific parameter values is provided at the end of this
appendix, followed by individual parameter-value tables for each compound.  The individual
parameter-value tables cite sources for each parameter value.

A2.1          PRIMARY GUIDANCE DOCUMENTS

Throughout Appendix A-2, the following guidance documents are referenced as the primary sources for
the development and comparision of compound-specific parameter values, and used to the fullest extent
possible to provide consistency.  Therefore, in this appendix, the term primary guidance documents
refers to the following documents:

             U.S. EPA.  1994f Revised Draft Guidance for Performing Screening Level Risk
                     Analyses at Combustion Facilities Burning Hazardous Wastes: Attachment C,
                     Draft Exposure Assessment Guidance for RCRA Hazardous Waste Combustion
                     Facilities. Office of Emergency and Remedial Response (OERR). Office of
                     Solid Waste. December 14.

             U.S. EPA.  1995b. Review Draft Development of Human Health Based and Ecologically
                     Based Exit Criteria for the Hazardous Waste Identification Project. Volumes I
                     and II.  Office of Solid Waste.  March 3.

             North Carolina Department of Environment, Health, and Natural Resources
                     (NC DEHNR).  1997. North Carolina Protocol for Performing Indirect
                     Exposure Risk Assessments for Hazardous Waste Combustion Units.  January.

To ensure consistency, sources referenced in the primary guidance documents were also evaluated.
Information for certain compounds like PCDDs, PCDFs, and mercury were obtained from the following
documents:

             U.S. EPA.  1994a. Estimating Exposure to Dioxin-Like Compounds. External Review
              Draft Report. Volumes I-III.  Office of Research and Development. Washington, DC.
              EPA/600/6-88/005Ca,b,c.

             U.S. EPA.  1997g. Mercury Study Report to Congress. Volume III: Fate and Transport
              of Mercury in the Environment.  Office of Air Quality Planning and Standards and Office
              of Research and Development. EPA-452/R-97-005. December.

U.S. EPA (1994a) provides various parameter values for (but are not limited to) PCDDs, PCDFs, and
PCBs.  U.S. EPA (1997g) provides various parameter values for mercuric compounds including
elemental mercury, mercuric chloride, and methyl mercury.
U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-1

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

A2.2           GENERAL ANALYSIS AND METHODOLOGY

This section describes the general analysis and methodology followed for the development of
compound-specific parameter values presented. Compound-specific parameter values in the primary
guidance documents and other sources generally were evaluated as follows:

        1.      Compound-specific values for each parameter were compared among the primary
               guidance documents and the following observations were noted:

               a.      Parameter values provided in U.S. EPA (1994f) are limited to 24 compounds.
                      For these compounds, sources were referenced specifically to each parameter, in
                      addition to the methodology used to obtain the  respective values.

               b.      U.S. EPA (1995b) provides various parameter values for a comprehensive list of
                      compounds. The methodology used for determining values was covered in
                      detail. However, parameter values for each compound were not referenced to a
                      specific source.  Although a comprehensive list of sources was provided, it is
                      difficult to determine which parameter value for a compound was obtained from
                      which source.

               c.      NC DEHNR (1997) provides various parameter values for a comprehensive list
                      of compounds, including congeners of poly chlorinated dibenzo(p)dioxins
                      (PCDDs) and poly chlorinated dibenzofurans (PCDFs). However, the sections
                      citing the methodology and sources of values in the NC DEHNR (1997) were
                      reproduced directly from U.S. EPA (1994f).  Therefore, in NC DEHNR (1997),
                      the compound-specific parameter values that were provided did not correlate
                      with the sections citing the methodology and sources of values.  In addition, only
                      a partial list of sources was provided for the values. Therefore, it was not
                      possible to determine the actual source of values with certainty.

       2.      Sources of values referenced in the primary guidance documents were further researched
               and evaluated. Observations affecting usability are included in parameter-specific
               discussions for each compound, as appropriate.

       3.      Values provided in the primary guidance documents were used only when the sources
               and applicability of such values could be verified.  Additional sources of parameter
               values were evaluated, used, and referenced when technically justified.

       4.      Recommended parameter values obtained using correlations or equations were calculated
               using the recommended values for these variables provided in this SLERAP.

In general, for the selection of parameter values, the following three steps were followed:

        1.      Whenever measured parameter values were available in published literature studies, they
               were preferred for use  over other types of data. When multiple measured values were
               available, the geometric mean of the parameter values is recommended for use.

       2.      In the absence of measured values in published literature that could not be directly
               evaluated, parameter values compiled or adopted for use by the primary guidance

U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-2

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

               documents, U.S. EPA (1994a), and U.S. EPA (1997g) are recommended.

       3.      If unable to obtain acceptable values from published literature or the primary guidance
               documents, parameter values were estimated or calculated using correlation equations
               based on sound scientific judgment.

The following sections, A2.3 through A2.5, provide compound-specific parameter values, which are
categorized and discussed as follows: (1) organic compounds, including poly chlorinated biphenyls
(PCB), and excluding methyl mercury, PCDDs and PCDFs, (2) PCDDs and PCDFs, (3) all metals except
mercury, and (4) the mercuric compoundsmercury (elemental; metal), mercuric chloride (divalent
inorganic mercury), and methyl mercury (organic mercury).

For each of the parameters, the sources of values referenced in this SLERAP are followed by a discussion
and justification of their selection. There is also a brief discussion of the methodology followed by each
of the primary guidance documents.  This provides a complete evaluation and comparison of the
compound-specific parameter values provided in the primary guidance documents that are currently used
to conduct risk assessments.

A2.3           PHYSICAL AND CHEMICAL PROPERTIES

A2.3.1         Molecular Weight (MW)

Molecular weight (MW) of a compound is defined as the sum of atomic weights of all atoms in the
compound's molecule.

Organics and Metals For most organics (except PCDDs and PCDFs) and metals, this SLERAP provides
MW values that were obtained from the following:

               Budavari,  S., M.J. O'Neil, A.  Smith, and P.E. Heckelman.  1989.  The Merck Index: An
               Encyclopedia of Chemicals, Drugs, and Biologicals.  llth Edition. Merck and
               Company, Inc. Rahway, New Jersey.

MW values not provided in Budavari, O'Neil,  Smith, and Heckelman (1989) were obtained from the
following document:

              Montgomery, J.H., and L.M. Welkom.  1991. Groundwater Chemicals Desk Reference.
               Lewis Publishers. Chelsea, Michigan.

Because Budavari, O'neil, Smith, and Heckelman (1989) provides MW values for most of the compounds
evaluated, it was used as the primary source to ensure consistency. MW values are based on the
compound's formula; and, the values in Budavari, O'Neil, Smith,  and Heckelman (1989) are the same as
the values cited in several literature sources. MW values for most of the compounds in the primary
guidance documents were also obtained from Budavari, O'Neil, Smith, and Heckelman (1989).

PCDDs and PCDFs MW values  for PCDDs and PCDFs were obtained from U.S. EPA (1994a).

Mercuric Compounds MW values for mercury and mercuric chloride were obtained from Budavari and
others (1989). MW value for methyl mercury was obtained from U.S. EPA (1997g).

U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-3

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999
A2.3.2        Melting Point Temperature (Tm)

Melting point temperature (Tm) is the temperature of the compound (in degree Kelvin [K]) at which the
solid state of the compound undergoes a phase change to a liquid phase. At ambient temperatures and at
an atmpospheric pressure of 1 atmosphere, compounds are either in a solid or liquid state.  The
compound liquid or solid state is provided in the summary tables of compound-specific parameter values.

Organics and Metals For most organics (except PCDDs and PCDFs) and metals, this SLERAP provides
values for Tm that were obtained from Budavari, O'Neil, Smith, and Heckelman (1989).  Tm values not
provided in Budavari, O'Neil, Smith,  and Heckelman (1989) were obtained from Montgomery and
Welkolm (1991).

Because Budavari, O'Neil, Smith, and Heckelman (1989) provides Tm values for most of the compounds
evaluated, it was  used as the primary source to ensure consistency.  Tm values in Budavari, O'Neil,
Smith, and Heckelman (1989) were generally within 2 to 3 degrees of the values provided in literature
sources  reviewed. Tm values for most compounds in the primary guidance documents were also obtained
from Budavari, O'Neil, Smith, and Heckelman (1989).

PCDDs and PCDFs Tm values for PCDDs and PCDFs were obtained from U.S. EPA (1994a).
U.S. EPA  (1994a) provides Tm values for PCDDs and PCDFs, that were obtained from various literature
sources.

A2.3.3        Vapor Pressure (Vp) and Aqueous Solubility (S)

The vapor pressure (Vp) of a substance is defined as the pressure in atmospheres exerted by the vapor
(gas) of a compound when it is under  equilibrium conditions.  It provides a semi-quantitative rate at
which it will volatilize from soil and/or water. The aqueous solubility (S) of a compound is defined as
the saturated concentration of the compound in water (mg COPC/L water) at a given temperature and
pressure, usually  at soil/water temperatures and atmospheric pressure (Montgomery and Welkom 1991).

Organics  For most organics (except PCDDs and PCDFs), values for Vp and S were obtained from  the
following:

              U.S. EPA 1994c.  Draft Report Chemical Properties for Soil Screening Levels. Prepared
              for the Office of Emergency and Remedial Response. Washington, DC.  July 26.

U.S. EPA  (1994c) provides measured, calculated, and estimated values for Vp and S that were obtained
from various literature  sources.  Vp values in U.S. EPA (1994c) were generally either measured (at  20C
to 25 C) or calculated values obtained from various literature sources.  U.S.  EPA (1994c), however,
provides values for Vp corrected to 25 C. U.S. EPA (1995b) states that, because the distribution of many
of the parameters is skewed, the geometric mean or the median values were preferable to the arithmetic
mean values.  Therefore, when available geometric mean values were preferred over the arithmetic  mean
values.  The geometric mean of the temperature corrected Vp values, determined from measured and
calculated values, is recommended for use in this SLERAP.

In U.S. EPA (1994c), lvalues were either measured (at 20 C to 30 C) or calculated values obtained from
various literature  sources.  The geometric mean S value, calculated from measured and calculated values,
is recommended for use in this SLERAP. Although lvalues were measured at temperatures ranging
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-4

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

from 20C to 30C, U.S. EPA (1994c) states that lvalues were not corrected to 25C, because the
variability in solubilities measured at 20C to 25 C was within the overall range of measured values.

U.S. EPA (1994c) is the preferred source, because (1) sources and the conditions at which each value was
obtained are provided, and (2) values were provided to 2 significant figures. Also, U.S. EPA (1994c)
provides multiple  Vp and S values for each compound from several different literature sources; providing
a recent, more comprehensive compilation of reported literature values. Vp and S values from U.S. EPA
(1994c) were generally consistent with those provided in U.S. EPA (1994f), U.S. EPA (1995b), and NC
DEHNR(1997).

When Vp and lvalues were not available in U.S. EPA (1994c), they were obtained from one of three
sources, in the following order of preference:

        1.      U.S. EPA (1994f)

        2.      U.S. EPA (1995b); values from which were obtained from one of three sources:

               a.      Mackay, D., W.Y. Shiu, and K.C. Ma.  1992.  Illustrated Handbook of
                     Physical-Chemical Properties and Environmental fate for Organic Chemicals.
                      Volume I-Monoaromatic Hydrocarbons, Chlorobenzenes, andPCBs.
                      Volume II-Polynuclear Aromatic Hydrocarbons, Poly chlorinated Dioxins and
                     Dibenzofurans.  Volume III - Volatile Organic Chemicals. Lewis Publishers.
                      Boca Raton, Florida.

               b.     Howard, P.H. 1989-1993. Handbook of Environmental Fate and Exposure
                     Data For Organic Chemicals. Volumes I: Large Production and Priority
                     Pollutants (1989).  Volume II: Solvents (1990).  Volume III: Pesticides (1991).
                      Volume IV:  Solvents2 (1993). Lewis Publishers.  Chelsea, Michigan.

               c.      Other referenced literature sources, when values were not available in Mackay,
                      Shiu, and Ma (1992) or Howard (1989-1993).

        3.      U.S. EPA. 1994b.  Superfund Chemical Data Matrix (SCDM). Office of Emergency
               and Remedial Response. Washington, DC. June.

Vp and S values in U.S. EPA (1994f) were geometric mean values obtained from various literature
sources. References specific to sources of values for each compound were provided in U.S. EPA (1994f)
and were, therefore, preferred over U.S. EPA (1995b) values.

Most Vp and lvalues in U.S. EPA (1995b) were obtained from Mackay, Shiu, and Ma (1992) or Howard
(1989-1993).  Mackay, Shiu, and Ma (1992) and Howard (1989-1993) obtain the "best" values after
evaluation of various literature sources.

Vp values in U.S. EPA (1994b) were obtained from various literature sources, lvalues in U.S. EPA
(1994b) were the geometric mean of values obtained from various literature sources.

PCDDs andPCDFs  Vp and lvalues for PCDDs and PCDFs were obtained from U.S. EPA (1994a).  Vp
and S values were either (1) measured, or (2) estimated by using the homologue (compound class with
the same amount of chlorination) average method.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-5

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

       NOTE:        The phasesolid or liquidof Vp values for all organics, including PCDDs and
                      PCDFs, was indicated.  This is based on whether the compound is in the solid or
                      liquid phase at ambient soil temperatures.

Metals  As cited in the primary guidance documents and in the literature, metalsexcept mercuryare
considered (1) nonvolatile at ambient temperatures, and (2) insoluble in water, except as certain weak
acids. Therefore, Vp and S values were not available for all metals (except mercury) in any of the
literature sources reviewed.

Mercuric Compounds Mercury  is a relatively volatile compound. Vp and S values for elemental
mercury were obtained from Budavari, O'Neil, Smith, and Heckelman (1989); and are comparable to the
values in the primary guidance documents. Vp and S values for mercuric chloride were obtained from
U.S. EPA (1997g) and Budavari, O'Neil, Smith, and Heckelman (1989), respectively.  Vp and lvalues
for methyl mercury were not found in the literature.

A2.3.4         Henry's Law Constant (H)

Henry's Law constant  (H) is also referred to as the air-water partition coefficient, and is defined as the
ratio of the partial pressure of a compound in air to the concentation of the compound in water at a given
temperature under equilibrium conditions. Henry's Law constant values generally can be (1) calculated
from the theoretical equation defining the constant, (2) measured,  or (3) estimated from the compound
structure. Experimental and estimated H values from literature reports, however, are  (1) very
temperature-dependent and difficult to measure, (2) generally obtained from various literature sources
that use different experimental and estimation methods, and (3) available for only a limited number of
compounds.

Organics For organics (excluding PCDDs and PCDFs), //values were calculated from the following
theoretical equation (Lyman, Reehl, and Rosenblast 1982) for consistency, using recommended MW, S,
and Vp values provided in this SLERAP:


                                _ Vp   MW
                             H	                            Equation A2-1
       H      =      Henry's Law constant (atm-m3/mole)
       Vp     =      Vapor pressure of COPC (atm)
       S      =      Solubility of COPC in water (mg COPC/L water)

The primary guidance documents also used theoretical Equation A-3-1 to calculate //values.

PCDDs and PCDFs //values for PCDDs and PCDFs are calculated values obtained from U.S. EPA
(1994a).

Metals For all metals (except mercury), H is zero, because Vpbecause of the nonvolatile nature of the
metalsand  S are assumed to be zero.

Mercuric Compounds H values for elemental mercury, mercuric chloride, and methyl mercury were
obtained  from U.S. EPA (1997g).
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-6

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2 _ August 1999

A2.3.5         Diffusivity of COPCs in Air (Da) and Water (Dw)

Diffusivity or diffusion coefficients in air (Z)a) and water (Z)w) are used to calculate the liquid or gas phase
transfer of a COPC into a waterbody.

Or ganics  For organics (except PCDDs and PCDFs), diffusivity values were obtained directly from the
CHEMDAT8 model chemical properties database (Worksheet DATATWO.WK1):

              U.S. EPA.  1994d. CHEM8 Compound Properties Estimation and Data. Version 1.00.
               CHEMDAT8 Air Emissions Program.  Prepared for Chemicals and Petroleum Branch,
               OAQPS. Research Triangle Park. North Carolina.  November 18.

The U.S. EPA (1994d) database uses empirical correlations with compound density and molecular weight
to calculate diffusivity values. For compounds not in the U.S. EPA  (1994d) database, diffusivity values
were obtained by using the WATERS model correlation equations for air and water diffusivities:

               U.S. EPA.  1995d. WATERS- -Air Emissions Models Wastewater Treatment.
               Version 4.0.  OAQPS. Research Triangle Park.  North Carolina. May  1.

U.S. EPA(1995d) database values were predicted by using  chemical-structural relationships.  Diffusivity
values for all compounds in the U.S. EPA (1994d) and (1995d) databases were either predicted or
estimated. The primary guidance documents  also  recommended U.S. EPA (1994d) and (1995d) database
model values. More recent documents, including the following, also recommended these values:

              U.S. EPA.  1996. Soil Screening  Guidance:  Technical Background Document and
               User 's Guide. Office of Solid Waste and Emergency Response. Washington, DC.
               EPA/540/R-95/128. May.

For diffusivity values that were not available in these databases, Dw  and Da values were calculated using
the following equations cited  and recommended for use in U.S. EPA (1997g):

                             n        1-9
                               '' " (MW)m                            Equation A2-2a
                              w'' =  (MW)2K                            Equation A2-2b
U.S. EPA (1995b) recommended the use of standard default diffusivity values.  U.S. EPA (1995b) stated
that the diffusivity parameters vary slightly, and default values appear to be within the range of typical
values. Values for diffusivity in air range from about 0.01 to 0.1 square centimeters per second (cm2/s);
therefore, U.S. EPA (1995b) recommended a default value of 0.08 cm2/s. Values for diffusivity in water
range from 1 x 10"06 to 1 x 10"05 cm2/s; therefore, U.S. EPA (1995b) recommended a default value of
8 x 10"06 cm2/s. Diffusivity values calculated using Equations A-2-2a and A-2-2b were within the range
specified by U.S. EPA (1995b), and therefore, were adopted for use in this SLERAP.
U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-7

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2 _ August 1999

PCDDs and PCD Fs  Diffusivity values in air and water for (1) 2,3,7,8-TCDD were obtained from
U.S. EPA (1994e), and (2) 2,3,7,8-TCDF were obtained from U.S. EPA (1995d). For all other congeners
of PCDDs and PCDFs, (1) a default Dw value of 8 x 10~06 cm2/s was used, and (2) Da values were
calculated using the following equation recommended by U.S. EPA (1994a):
                                                                       Equation A2-2c
                             D     MW
                               y        x
where
       D      =      Diffusivities in air of compounds x and y (cm2/s)
               =      Molecular weights of compounds x and y (g/mol)
Da values for PCDD congeners were calculated by using the Da value and AdWfor 2,3,7,8-TCDD.  Da
values for PCDF congeners were calculated using the Da value and A4Wfor 2,3,7,8-TCDF.  This
approach is consistent with the methodology specified in U.S. EPA (1994a).

Metals and Mercuric compounds  For metals (except chromium and mercury), diffusivity values were
not available in the literature. Diffusivity values for chromium and mercury were obtained from the U.S.
EPA (1994d) database.  Diffusivity values for mercuric chloride and methyl mercury were calculated
using Equations A-2-2a and A-2-2b.

A2.3.6         Octanol/Water Partitioning Coefficient (Kow)

The -octanol/water partitioning coefficient (K0J is defined as the ratio of the solute concentration in the
water-saturated -octanol phase to the solute concentration in the -octanol-saturated water phase
(Montgomery and Welkom 1991).

Or sanies  For organics (except PCDDs and PCDFs), Kov values were obtained from U.S. EPA (1994c).
U.S. EPA (1994c) provides measured, calculated, and estimated Kow values obtained from various
literature sources. The geometric mean Kov value, calculated from all measured and calculated values for
each compound, is recommended in this SLERAP.

Kow values that were not available in U.S. EPA (1994c) were obtained from one of three sources, in the
following order of preference:

        1.      U.S. EPA (1994f)

        2.      Karickhoff, S.W. and J.M. Long. 1995. "Internal Report on Summary of Measured,
               Calculated, and Recommended Log Kow Values."  Environmental Research Laboratory.
               Athens. April 10.
U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                       A-2-8

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

       3.      U.S. EPA (1995b), values from which were obtained from one of three sources:

               a.      Mackay, D., W.Y. Shiu, and K.C. Ma.  1992.  Illustrated Handbook of
                      Physical-Chemical Properties and Environmental Fate for Organic Chemicals.
                      Volume I-Monoaromatic Hydrocarbons, Chlorobenzenes, andPCBs.
                      Volume II - Polynuclear Aromatic Hydrocarbons, Poly chlorinated Dioxins and
                      Dibenzofurans.  Volume III - Volatile Organic Chemicals.  Lewis Publishers.
                      Boca Raton, Florida.

               b.      Howard, P.H. 1989-1993. Handbook of Environmental Fate and Exposure
                      Data For Organic Chemicals.  Volumes I: Large Production and Priority
                      Pollutants  (1989).  Volume II:  Solvents (1990).  Volume III: Pesticides (1991).
                      Volume IV: Solvents2 (1993).  Lewis Publishers.  Chelsea, Michigan.

               c.      Other literature sources, when values were not available in Mackay,  Shiu, and
                      Ma (1992) and Howard (1989-1993).

U.S. EPA (1994c) is the preferred source of values because (1) sources were provided, (2) several
literature values were provided, some of which are also cited by the primary guidance documents and
Karickhoff and Long (1995), and (3) the values were provided to 2 significant figures.

U.S. EPA (1994f) is the second-choice source of Kow values recommended; and provides geometric mean
values obtained from various literature sources. Karickhoff and Long (1995) recommended arithmetic
mean values obtained from various literature sources and was, therefore, preferred  as the third-choice
source of Km, values when values were not available from the first two sources.
          ow
In order to reference specific sources ofKm values for each compound, values from U.S. EPA (1995b)
and NC DEHNR (1997) were used only when values were not available in the literature sources
reviewed.

PCDDs andPCDFs Kow values for the PCDDs and PCDFs were obtained from either U.S. EPA (1994a)
or U.S. EPA (1992d). U.S. EPA (1994a) and U.S. EPA (1992d) provide Kow values for PCDDs and
PCDFs that were either measured values obtained from the literature or calculated by averaging the
literature values within the homologue group. According to U.S. EPA (1994a), Km values for
hexachlorodibenzofurans were not available in the literature. Therefore, as recommended in U.S. EPA
(1994a), due to lack of data, homologue group average values for hexachlorodibenzodioxins were applied
to hexachlorodibenzofurans.

Metals  No Km values were available for metals, either in the literature or in the primary guidance
documents. Km values for the metals were assumed to be zero, because the affinity of the metals to the
octanol is almost zero.

Mercuric compounds No Kow values were available in the literature for mercury and methyl mercury.
For mercuric chloride, the Km value was obtained from U.S. EPA (1997g).
U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-9

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

A2.3.7         Soil Organic Carbon-Water Partition Coefficient (Koc)

The soil organic carbon-water partition coefficient (K01) or the organic carbon normalized soil sorption
coefficient is defined as the ratio of adsorbed compound per unit weight of organic carbon to the aqueous
solute concentration (Montgomery and Welkom 1991).

Organics  Because of the soil mechanisms that are inherently involved, Koc values for the ionizing
organics and nonionizing organics are discussed separately.

A2.3.7.1        Ionizing Organic Compounds

Ionizing organic compounds include amines, carboxylic acids, and phenols.  These compounds contain
the functional groups that ionize under specific pH conditions, and include the following:

              Organic acids (2,4,6-trichlorophenol; pentachlorophenol; 2,3,4,5-tetrachlorophenol;
               2,3,4,6-tetrachlorophenol; 2,4,5-trichlorophenol; 2,4-dichlorophenol; 2-chlorophenol;
               phenol; 2,4-dimethylphenol; 2-methylphenol; 2,4-dinitrophenol; and benzoic acid)

              Organic basesn-nitroso-di-n-propylamine; n-nitrosodiphenylamine, and
               4-chloroaniline)

Koc values for ionizing organic compounds were obtained from U.S. EPA (1994c). U.S. EPA (1994c)
provides Koc values for the ionizing organic compounds that have been estimated on the basis of the
degree of ionization and the relative proportions of neutral and ionized species.  The primary guidance
documents cite one value for the ionizing organics, independent of the pH. The primary guidance
documents calculate Koc values for the ionizing organics by using correlation equations containing Km
that are applicable to nonionizing organics. However, Koc values for ionizing compounds can vary vastly,
depending on the pH conditions in the environment.  Therefore, for the aforementioned ionizing organic
compounds, this SLERAP prefers and provides estimated Koc values that are based on pH.

Koc values were estimated on the basis of the assumption that the sorption of ionizing organic compounds
is similar to hydrophobic organic sorption, because the soil organic carbon is the dominant sorbent.
According to U.S. EPA (1994c), for low pH conditions, these estimated values may  overpredict sorption
coefficients, because they ignore sorption to components other than organic carbon.

A2.3.7.2        Nonionizing Organic Compounds

Nonionizing organic compounds are all other organic compounds not listed earlier as ionizing. They
include volatile organics, chlorinated pesticides, polynuclear aromatic hydrocarbons (PAHs), and
phthalates.  This SLERAP uses geometric mean of measured Koc values provided in  the following
document:

              U.S. EPA.  1996b. Soil Screening Guidance: Technical Background Document and
               User's Guide. Office of Solid Waste and Emergency Response. Washington, DC.
               EPA/540/R-95/128.  May.

U.S. EPA (1996b) calculated the geometric mean value from various measured values. For compounds
for which Koc values are not provided by U.S. EPA (1996b), Koc values were calculated using Km
correlation equations provided in the  same document.
U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-10

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

NC DEHNR (1997) and U.S. EPA (1994f) use the following correlation equation to calculate Koc from
Kow for all organics:
             log Koc = 0.88 (log KJ  +0.114    (r2 = 0.96)            Equation A-2-3


              Research Triangle Institute (RTI). 1992. Preliminary Soil Action Level for Superfund
               Sites, Draft Interim Report. Prepared for U.S. EPA Hazardous Site Control Division,
               Remedial Operations Guidance Branch.  Arlington, Virginia. December.

However, according to U.S. EPA (1994c), the correlation between Koc and Kow can be improved
considerably by performing separate linear regressions on two chemical groups.  U.S. EPA (1994c)
derives the following correlation equations from measured Koc values cited in U.S. EPA (1994c) and
U.S. EPA (1996b):

For phthalates andPAHs


             log Koc = 0.97 (log KJ  - 0.094    (r2 = 0.99)            Equation A-2-4



For all organics except phthalates, PAHs, PCDDs, andPCDFs



             log Koc = 0.78 (log KJ  +0.151      (r2 = 0.98)            Equation A-2-5
Because of the improved regressions (r2), U.S. EPA (1994c) recommended that correlation
Equations A-2-4 and A-2-5 be used instead of correlation Equation A-2-3. U.S. EPA (1995b) also
recommended that correlation Equations A-2-4 and A-2-5 be used.

Although U.S. EPA (1995b) recommended the use of correlation Equations A-2-4 and A-2-5, the
following correlation equation was used by that document to calculate Koc values for all organics except
PCDDs and PCDFs:
                    log Koc  =  0.983  (log KJ + 0.0002                   Equation A-2-6
               DiToro, D.M., C.S. Zarba, D.J. Hansen, W.J. Berry, RC. Swartz, C.E. Cowan, S.P.
               Pavlou, H.E. Allen, N.A. Thomas, and P.R. Paquin. 1991. "Technical Basis for


U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-11

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

               Establishing Sediment Quality Criteria for Nonionic Compounds Using Equilibrium
               Partitioning."  Environmental Toxicology and Chemistry. 10:1541-1583

For the purposes of this SLERAP, values obtained by using correlation Equations A-2-3 through A-2-6,
were compared.  In general, more of the Koc values obtained by using correlation Equations A-2-4 and
A-2-5 were within the range of measured values in the literature than those obtained by using correlation
Equations A-2-3 and A-2-6. Therefore, when measured Koc values were not available, values were
estimated, for all nonionizing organic compounds except PCDDs and PCDFs, by using the appropriate
correlation Equation A-2-4 or A-2-5.

PCDDs and PCDFs For PCDDs and PCDFs, the following correlation equation (Karickhoff, Brown,
and Scott 1979) was used to calculate Koc values, as cited by U.S. EPA (1994a).
          log Koc = log Kow - 0.21           (n =  10, r2 =  1.0)         Equation A-2-7
               Karickhoff, S.W., D.S. Brown, and T.A. Scott.  1979.  "Sorption of Hydrophobic
               Pollutants on Natural Sediments." Water Resources. 13:241-248.

Metals  For metals, no Koc values were found in the literature. Koc values for metals were not provided in
the primary guidance documents, because of the stated assumption that organic carbon in soils does not
play a major role in partitioning in soil and sediments.  For metals, soil/sediment-water partitioning
coefficients (Kd) were obtained directly from experimental measurements (see Kd discussion).

        Note:          For compounds in which a Kow correlation equation was used to calculate a Koc
                      value, Km values recommended for each compound in this SLERAP were used.

A2.3.8         Partitioning Coefficients for Soil-Water (Kds), Suspended Sediment-Surface Water
               (Kdm), and Bottom Sediment-Sediment Pore Water (KdJ

Partition coefficients (Kd) describe the partitioning of a compound between sorbing material, such as
soil, soil pore-water, surface water, suspended solids, and bed sediments.  For organic compounds, Kd
has been estimated to be a function of the organic-carbon partition coefficient and the fraction of organic
carbon in the partitioning media. For metals, Kd is assumed to be independent of the organic carbon in
the partitioning media and, therefore, partitioning is similar in all sorbing media.

The soil-water partition coefficient (Kds) describes the partitioning of a compound between soil
pore-water and soil particles, and strongly influences the release and movement of a compound into the
subsurface soils and underlying aquifer. The suspended sediment-surface water partition coefficient
(Kdsw) coefficient describes the partitioning of a compound between surface water and suspended solids
or sediments. The bed sediment-sediment pore-water partition coefficient (Kdbs) coefficient describes the
partitioning of a compound between the bed sediments and bed sediment pore-water.

Organics  For organics (including PCDDs and PCDFs), soil organic carbon is  assumed to be the
dominant sorbing component in soils and sediments. Therefore, Kd values were calculated using the
following  fraction organic carbon (foc) correlation equations:

U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-12

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999
                            Kds  - foc^s  Koc                           Equation A-2-8a


                           Kd  = foe, ' KOC                          Equation A-2-8b


                            Kdbs  = foc,bs ' KOC                          Equation A-2-8c
             U.S. EPA.  1993d.  Review Draft Addendum to the Methodology for Assessing Health
              Risks Associated with Indirect Exposure to Combustor Emissions.  Office of Health and
              Environmental Assessment.  Office of Research and Development.
              EPA-600-AP-93-003. November 10.

U.S. EPA (1993d), from literature searches, states that^c could range as follows:

             0.002 to 0.024 in soilsfor which a mid-range value offocs= 0.01 generally can be used.

             0.05 to 0.1 in suspended sedimentsfor which a mid-range value offOCiSW = 0.075
              generally can be used.

             0.03 to 0.05 in bottom sedimentsfor which a mid-range value offochs= 0.04 generally
              can be used.

Consistent with the primary guidance documents, this SLERAP uses mid-range foc values recommended
by U.S. EPA (1993d). Kd values were calculated using Koc values recommended for each compound in
this SLERAP.

Metals For metals (except mercury), Kd is governed by factors other than organic carbon, such as pH,
redox, iron content, cation exchange capacity, and ion-chemistry. Therefore, Kd values for metals cannot
be calculated using the same correlation equations specified for organic compounds. Instead, Kd values
for the metals must be obtained directly  from literature sources. Kd values for all metals, except lead,
were obtained from U.S. EPA (1996b).  U.S. EPA (1996b) provides values for Kdthat are based on pH,
and are estimated by using the MINTEQ2 model, which is a geochemical speciation model. The
MINTEQ2 model  analyses were conducted under a variety of geochemical conditions and metal
concentrations. The MINTEQ2 pH-dependent Kd values were estimated by holding constant the iron
oxide at a medium value and the/^ at 0.002. For arsenic, hexavalent chromium, selenium, and thallium,
empirical pH-dependent Kd values were used.

U.S. EPA (1995b) also recommended Kd values estimated using the MINTEQ2 model. U.S. EPA
(1994f) and NC DEHNR (1997) provided Kd values obtained from several literature sources, depending
on the compound;  however, the Kd values are identical in all of the primary guidance documents.

The MINTEQ2 model values in U.S. EPA (1996b) were comparable to the values in the primary
guidance documents. In addition, because organic carbon does not play a major role in partitioning for
the metals, U.S. EPA (1994f) assumed that the partitioning is the same, regardless of the soil, suspended

U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-13

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

sediment, or bottom sediment phase. Therefore, in this SLERAP, values for partitioning coefficients Kds,
Kdsw, and Kdbs for the metals are assumed to be the same.

Kd value for lead was obtained from the following:

               Baes, C.F., R.D. Sharp, A.L. Sjoreen, and R.W. Shor.  1984.  "Review and Analysis of
               Parameters and Assessing Transport of Environmentally Released Radionuclides
               Through Agriculture."  Oak Ridge National Laboratory, Oak Ridge, Tennessee.

Mercuric Compounds Kdy Kdsv, and Kdbs values for mercury, mercuric chloride, and methyl mercury
were obtained from U.S. EPA (1996b).  Kd values for mercuric chloride and methyl mercury were
obtained from U.S. EPA (1997g).

A2.3.9         Soil Loss Constant Due to Degradation (ksg)

Soil loss constant due to degradation (ksg) reflects loss of a compound from the soil by processes other
than leaching. Degradation rates in the  soil media include biotic and abiotic mechanisms of
transformation.  Abiotic degradation includes photolysis, hydrolysis, and redox reactions.  Hydrolysis
and redox reactions can be significant abiotic mechanisms in soil (U.S. EPA 1990).

The following document states that degradation rates can be assumed to follow first order kinetics in a
homogenous media:

               Lyman , W.J., W.F. Reehl, and D.H. Rosenblatt. 1982. Handbook of Chemical
               Property Estimation Methods: Environmental Behavior of Organic Compounds.
               McGraw-Hill Book Company. New York, New York.

Therefore, the half-life ft,/.} of compounds can be related to the degradation rate constant (ksg) as follows:
                               ,      0.693
                               ksS  =                              Equation A-2-9
Ideally, ksg is the sum of all biotic and abiotic rate constants in the soil. Therefore, if the tVi for all of the
mechanisms of transformation are known, the degradation rate can be calculated using Equation A-2-9.
However, literature sources generally do not provide sufficient data for all such mechanisms, especially
for soil.

Or sanies For organics (except PCDDs and PCDFs), ksg values were calculated using half-life soil
values obtained from the following document:

               Howard, P.H., Boethling, R.S., Jarvis, W.F., Meylan, W.M., and Michalenko,  E.M.
               1991.  Handbook of 'Environmental Degradation Rates. Lewis Publishers. Chelsea,
               Michigan.

Half-life  values provided in Howard, Boethling, Jarvis, Meylan, and Michalenko (1991) indicate the
disappearance of a substance in ground water or soil; with the principal degradation mechanisms being
U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                      A-2-14

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

biodegradation and hydrolysis. Values reported were highly variable because of the different methods
used for measurements, in addition to the various controlling factors that could affect them. Therefore,
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991) provided a range of half-life values found in
the literature, usually for the fastest reaction mechanism,. Ksg values recommended in this SLERAP
were calculated with the high-end half-life values.

U.S. EPA (1994b) also cited values obtained from Howard, Boethling, Jarvis, Meylan, and Michalenko
(1991).  NC DEHNR (1997) cited values that are comparable to ksg values calculated by using half-life
values obtained from Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).

PCDDs and PCDFs For PCDDs and PCDFs, ksg values were calculated from half-life values in soil
obtained from Mackay, Shiu, and Ma (1992). For 2,3,7,8-TCDD, ksg value was obtained from
U.S. EPA (1994a); which discussed experimental studies that were conducted on PCDDs and PCDFs
degradation mechanisms.  U.S. EPA (1994a) summarized the degradation of PCDDs and PCDDs as
follows:

              A few experimental studies have shown possible biological degradation of TCDDs.
               However, the studies conclude that microbial action is very slow for PCDDs under
               optimum conditions, with the degradation rates probably higher with decreasing
               chlorination. PCDFs were found to be extremely stable to biological degradation.

              Abiotic degradation, such as photolysis, appears to be the most significant natural
               degradation mechanism for PCDDs and PCDFs. Experimental studies have shown that
               PCDDs and PCDFs undergo photolysis in the presence of a suitable hydrogen donor. No
               information was available to show that other abiotic degradation mechanisms, such as
               oxidation and hydrolysis, are important under environmentally relevant conditions.

Metals For the metals, NC DEHNR (1997) cites ksg values of zero. Literature states that the metals are
transformed, but not degraded, by such mechanisms; therefore, ksg values are not applicable to metals.

Mercuric Compounds For mercury, mercuric chloride, and methylmercury, U.S. EPA (1997g)
recommended ksg values of zero.

A2.3.10        Fraction of Pollutant Air Concentration in the Vapor Phase (Fv)

Organics  For organics, the fraction of pollutant air concentration in the vapor phase (Fv) was calculated
using the following equation:
                                       c ST
                          Fv =  I  - 	                         Equation A-2-10
                                    p L + c  ST
              Junge, C. E.  1977.  Fate of Pollutants in the Air and Water Environments, Part I; Suffet,
               I. H., Ed.; Wiley; New York. Pages 7-26.

If the compound is a liquid at ambient temperatures (that is, when p L is known), Equation A-2-10
calculates Fv using the vapor pressure value recommended for that compound in this SLERAP. If the

U.S. EPA Region 6                                                                U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-15

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

compound is a solid at ambient temperatures (that is, when p s is known), the following equation
(Bidleman 1988) was used to calculate p L fmmps, for use in Equation A-2-10:
                           p      A Sf (T   -  T)
                       In (	) =  ^ _2L^	                       Equation A-2-11
                           Ps      R       T
where

       c      =      Junge constant = 1.7 x 10~04 (atm-cm)
       p L    =      Liquid phase vapor pressure of compound (arm)
       p s    =      Solid phase vapor pressure of compound (atm)
       R     =      Universal ideal gas constant (atm-m3/mole"K)
       ASf    =      Entropy effusion [ASf/R = 6.79 (unitless)]
       ST     =      Whitby's average surface area of particulates (aerosols)
       Ta     =      Ambient air temperature (K)assumed to be 25 C or 298 K

This equation was adopted from:

             Bidleman, T.F.  1988.  "Atmospheric Processes."  Environmental Science and
              Technology. Volume 22.  Number 4. Pages 361-367.

According to Bidleman (1988), Equation A-2-10 assumes that the Junge constant (c) is constant for all
compounds.  However, c can depend on (1) the compound (sorbate) molecular weight, (2) the surface
concentration for monolayer coverage, and (3) the difference between the heat of desorption from the
particle surface and the heat of vaporization of the liquid-phase sorbate.

The primary guidance documents used Equations A-2-10 and A-2-11 to compute Fv.  However, it is not
clear what values ofS, T, and Vp values were used to calculate values for Fv.  For example, U.S. EPA
(1994f) calculated Fv values at (T) of 11 C. Because of inconsistencies in the values in the primary
guidance documents, Fv values in the primary guidance documents were not recommended for use in this
SLERAP. Fv values were calculated using the recommended values of Vp and Tm provided in this
SLERAP for each compound.

Metals Consistent with U.S. EPA (1994f), all metals (except mercury) are assumed to be present in the
particulate phase and not in the vapor phase (Vp = 0), and assigned Fv values of zero.

Mercuric Compounds Mercury and mercuric chloride are relatively volatile and exist in the vapor phase
(U.S. EPA 1997g). Therefore, the Fv value recommended in this SLERAP for mercury was calculated
using Equations A-2-10 and A-2-11.

Based on discussions on mercury presented in Chapter 2 of this SLERAP, Fv values of 1.0 for mercury
(same as calculated using Equations A-2-10 and A-2-11), and 0.85 for mercuric chloride were estimated.
Consistent with information provided in U.S. EPA (1997g), methyl mercury is assumed not to exist in
the air phase and, therefore, assigned an Fv of zero.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-16

-------

Agency for Toxic Substances and Disease Registry (ATSDR). 1987. Draft Toxicological Profile for
       Di(2-ethylhexyl) Phthatlate.  Oak Ridge National Laboratory. December.

Bacci E., D. Calamari, C. Gaggi, and M. Vighi. 1990. "Bioconcentration of Organic Chemical Vapors
       in Plant Leaves: Experimental Measurements and Correlation."  Environmental Science and
       Technology. Volume 24. Number 6. Pages 885-889.

Bacci E., M. Cerejeira, C. Gaggi, G. Chemello, D. Calamari, and M. Vighi. 1992. "Chlorinated
       Dioxins: Volatilization from Soils and Bioconcentration in Plant Leaves."  Bulletin of
       Environmental Contamination and Toxicology.  Volume 48. Pages 401-408.

Baes, C.F.  1982. "Prediction of Radionuclide Kd values from Soil-Plant Concentration Ratios."
       Tran. American Nuclear Society.  41:53-54.

Baes, C.F.,  R.D. Sharp, A.L. Sjoreen, and R.W. Shor. 1984. "Review and Analysis of Parameters and
       Assessing Transport of Environmentally Released Radionuclides through Agriculture."
       Oak Ridge National Laboratory.  Oak Ridge, Tennessee.

Banerjee, S., P.H. Howard, and S.S. Lande.  1990.  "General Structure Vapor Pressure Relationships for
       Organics."  Chemosphere. 21(10-11).  Pages 1173-1180.

Belcher, G.D., and C.C. Travis. 1989.  "Modeling Support for the RURA and Municipal Waste
       Combustion Projects: Final Report on Sensitivity and Uncertainty Analysis for the Terrestrial
       Food Chain Model." Interagency Agreement No.  1824-A020-A1. Office of Risk Analysis,
       Health and Safety Research Division.  Oak Ridge National Laboratory.  Oak Ridge, Tennessee.
       October.

Bidleman, T.F.  1984. "Estimation of Vapor Pressures for Nonpolar Organic Compounds by Capillary
       Gas Chromatography.  Analytical Chemistry. Volume 56. Pages 2490-2496.

Bidleman, T.F.  1988. "Atmospheric Processes." Environmental Science and Technology. Volume 22.
       Number 4.  Pages 361-367.

Billington, J.W., G. Huang, F. Szeto, W.Y. Shiu, and D. Mackay. 1988.  "Preparation of Aqueous
       Solutions of Sparingly  Soluble Organic Substances:  I. Single Component Systems."
       Environmental Toxicology and Chemistry.  Volume 7. Pages 117-124.

Briggs, G.G., R.H. Bromilow, and A.A. Evans. 1982. "Relationships Between Lipophilicity and Root
       Uptake and Translocation of Nonionized Chemicals by Barley."  Pesticide Science. Volume 13.
       Pages 495-504.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-17

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

Bruggeman, W.A., J. Van Der Steen, and O. Hutzinger. 1982.  "Reversed-Phase Thin-Layer
       Chromatography of Polynuclear Aromatic Hydrocarbons and Chlorinated Biphenyls.
       Relationship with Hydrophobicity as Measured by Aqueous Solubility and Octanol-Water
       Partition Coefficient." Journal of Chromatography.  Volume 238.  Pages 335-346.

Budavari, S., M.J. O'Neil, A. Smith, and P.E. Heckelman. 1989.  The Merck Index: An Encyclopedia of
       Chemicals, Drugs, and Biologicals.  llth Edition. Merck and Company, Inc. Rahway,
       New Jersey.

California Environmental Protection Agency (CEPA).  1993. "Parameter Values and Ranges for
       CALTOX."  Draft.  Office of Scientific Affairs. California Department of Toxic Substances
       Control.  Sacramento, CA.  July.

Chamberlain, A.C.  1970. "Interception and Retention of Radioactive Aerosols by Vegetation."
       Atmospheric Environment.  Pergamon Press. Great Britain. Volume 4.  Pages 57-78.

Di Toro, D.M. 1985. "A Particle Interaction Model of Reversible Organic Chemical Sorption."
       Chemosphere.  14(10): 1503-153 8.

DiToro, D.M., C.S. Zarba, D.J. Hansen, W.J. Berry, RC. Swartz, C.E. Cowan, S.P.  Pavlou, H.E. Allen,
       N.A. Thomas, and P.R. Paquin.  1991.  "Technical Basis for Establishing Sediment Quality
       Criteria for Nonionic Compounds Using Equilibrium Partitioning."  Environmental Toxicology
       and Chemistry.  10:1541-1583.

Eadie, B.J., N.R. Morehead, and P.P. Landrum. 1990.  "Three-Phase Partitioning of Hydrophobic
       Organic Compounds in Great Lakes Waters."  Chemosphere. Volume 20.  Pages 161-178.

Ellegehausen, H., J.A. Guth, and H.O. Esser. 1980. "Factors Determining the Bioaccumulation
       Potential of Pesticides in the Individual Compartments of Aquatic Food Chains."  Ecotoxicology
       and Environmental Safety.  4:134.

Gobas, F.A.P.C.  1993.  "A  Model for predicting the bioaccumulation of hydrophobic organic chemicals
       in aquatic food-webs: application to Lake Ontario." Ecological Modelling.  69:1-17.

Hansch, C., and A. Leo.  1985. Medchem Project.  Pomona College. Clairemont, California. Issue
       No. 26.

Haque, R., and D. Schmedding.  1975.  "A Method of Measuring the Water Solubility of Hydrophobic
       Chemicals: Solubility of Five Polychlorinated Biphenyls." Bulletin of Environmental
       Contamination and Toxicology.  Volume 14.  Pages 13-18.

Hinckley, D.A., T.F. Bidleman, and W.T. Foreman. 1990. "Determination  of Vapor Pressures for
       Nonpolar and Semipolar Organic Compounds from Gas Chromatographic Retention Data."
       Journal of Chemical Engineering Data. Volume 35. Pages 232-237.

Hoffman, P.O., K.M. Thiessen, M.L. Frank, and E.G.  Blaylock.  1992.  "Quantification of the
       Interception and Initial Retention of Radioactive Contaminants Deposited on Pasture Grass by
       Simulated Rain." Atmospheric Environment.  26A(18):3313-3321.


U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-18

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

Howard, P.H. 1989-1993. Handbook of Environmental Fate and Exposure Data For Organic
       Chemicals. Volume I:  Large Production and Priority Pollutants (1989). Volume II:  Solvents
       (1990). Volume III:  Pesticides (1991).  Volume IV: Solvents2 (1993). Lewis Publishers.
       Chelsea, Michigan.

Howard, P.H., R.S. Boethling, W.F. Jarvis, W.M. Meylan, and E.M. Michalenko, 1991.  Handbook of
       Environmental Degradation Rates.  Lewis Publishers. Chelsea, Michigan.

Junge, C. E.  1977. Fate of Pollutants in the Air and Water Environments, Part I. Suffet, I. H.,
       Ed. Wiley. New York. Pages 7-26.

Karickhoff, S.W., D.S. Brown, and T.A. Scott. 1979.  "Sorption of Hydrophobic Pollutants on Natural
       Sediments."  Water Resources.  13:241-248.

Karickhoff, S.W., and J.M. Long.  1995. " Internal Report on Summary of Measured, Calculated, and
       Recommended Log Kow Values." Environmental Research Laboratory.  Athens, Georgia.
       April 10.

Landrum, P.P., S.R. Nihart, B.J. Eadie, and W.S. Gardner. 1984. "Re verse-Phase Separation Method
       for Determining Pollutant Binding to Aldrich Humic Acid and Dissolved Organic Carbon of
       Natural Waters." Environmental Science and Technology. 18(3): 187-192.

Lorber, M. 1995.  "Development of an Air-to-plant Vapor Phase Transfer for Dioxins and Furans.
       Presented at the  15th International Symposium on Chlorinated Dioxins and Related
       Compounds". August 21-25, 1995 in Edmonton, Canada. Abstract in Organohalogen
       Compounds. 24:179-186.

Lucius, J.E., R.O. Olhoeft, P.L. Hill, and S.K.  Duke.  1992.  Properties and Hazards of 108 Selected
       Substances - 1992 Edition. U.S. Department of the Interior Geological Survey.  U.S. Geological
       Survey Open-File Report 92-527.  September.

Lyman, W.J., W.F. Reehl, and D.H. Rosenblatt.  1982.  Handbook of Chemical Property Estimation
       Methods:  Environmental Behavior of Organic Compounds.  McGraw-Hill Book Company.
       New York, New York.

Ma, K.C., WY. Shiu, and D. Mackay. 1990.  A Critically Reviewed Compilation of Physical and
       Chemical and Persistence Data for 110 Selected EMPPL Substances. Prepared  for the Ontario
       Ministry of Environment. Water Resources Branch. Toronto, Ontario.

Mabey, W.R, J.H. Smith, R.T. Podoll, H.L. Johnson, H.L. Mill, T.W. Chiou, J. Gate, I.
       Waight-Partridge, H. Jaber, and D. Vanderberg.  1982.  Aquatic Fate Process Data for Organic
       Priority Pollutants. U.S. EPA Report Number 440/4-81-014. December.

McCarthy, J.F., and B.D. Jimenez. 1985. "Interactions Between Fob/cyclic Aromatic Hydrocarbons and
       Dissolved  Humic Material: Binding and Dissociation."  Environmental Science  and Technology.
       19(11):1072-1076.

Mackay, D., and S. Paterson.  1991. "Evaluating the Multimedia Fate of Organic Chemicals: A Level
       III Fugacity Model."  Environmental Science and Technology.  Volume 25(3). Pages 427-436.
U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-19

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

Mackay, D., and W.Y. Shiu. 1975. "The Aqueous Solubility and Air-Water Exchange Characteristics of
       Hydrocarbons under Environmental Conditions." In Chemistry and Physics of Aqueous Gas
       Solutions.  Electrochem.  Soc., Inc. Princeton, New Jersey.

Mackay, D. W.Y. Shiu, and K.C. Ma.  1992. Illustrated Handbook of Physical-Chemical Properties and
       Environmental Fate for Organic Chemicals. Volume IMonoaromatic Hydrocarbons,
       Chlorobenzenes, and PCBs.  Volume IIPolynuclear Aromatic Hydrocarbons, Poly chlorinated
       Dioxins, andDibenzofurans.  Volume IIIVolatile Organic Chemicals. Lewis Publishers.
       Chelsea, Michigan.

McLachlan, M.S., H. Thoma, M. Reissinger, and O. Hutzinger.  1990. "PCDD/F in an Agricultural
       Food Chain. Part I: PCDD/F Mass Balance of a Lactating Cow."  Chemosphere. Volume 20
       (Numbers 7-9). Pages 1013-1020.

Macrady, J.K., and S.P. Maggard. 1993. "Uptake and Photodegradation of
       2,3,7,8-Tetrachlorodibenzo-p-dioxin Sorbed to Grass Foliage." Environmental Science and
       Technology. 27:343-350.

Mallon, B.J., and F.I. Harrison.  1984.  "Octanol-Water Partitioning Coefficient of Benzo(a)pyrene:
       Measurement, Calculation, and Environmental Implications." Bulletin of Environmental
       Contamination and Toxicology. New York. Pages 316-323.

Miller, M.M., S.P. Wasik, G.L. Huang, W.Y. Shiu, and D. Mackay.  1985.  "Relationships Between
       Octanol-Water Partition Coefficient and Aqueous Solubility."  Environmental Science and
       Technology. 19(6):522-529.

Mills, W.B., J.D. Dean, D.B. Porcella, S.A. Gherini, RJ.M. Hudson, W.E. Frick, G.L. Rupp, and G.L.
       Bowie.  1982.  Water Quality Assessment: A Screening Procedure for Toxic and Conventional
       Pollutants.  Parti.  EPA 600/6-82-004a.

Montgomery, J.H., and L.M. Welkom. 1991.  Groundwater Chemicals Desk Reference.  Lewis
       Publishers.  Chelsea, Michigan.

Murray, J.M., R.F. Pottie, and C. Pupp. 1974.  "The Vapor Pressures and Enthalpies of Sublimation of
       Five Poly cyclic Aromatic Hydrocarbons." Can.J.Chem. 52:557-563.

Moses, A.J. 1978.  The Practicing Scientist's Handbook. A Guide for Physical and Terrestrial
       Scientists and Engineers. Van Nostrand Reinhold Company. New York, NY.

North Carolina Department of Environment, Health, and Natural  Resources (NC DEHNR). 1997. North
       Carolina Protocol for Performing Indirect Exposure Risk Assessments for Hazardous Waste
       Combustion Units.  January.

Ogata, M., K. Fujisawa, Y.  Ogino, and E. Mano.  1984. "Partition Coefficients as a Measure of
       Bioconcentration Potential of Crude Oil Compounds in Fish and  Shellfish."  Bulletin of
       Environmental Contaminant Toxicology. Volume 33.  Page 561.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                            Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-20

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

Pennington, J.A.T.  1994.  Food Value of Portions Commonly Used. Sixteenth Edition. J.B. Lippincott
       Company, Philadelphia.

Research Triangle Institute (RTI).  1992.  Preliminary Soil Action Level for Superfund Sites, Draft
       Interim Report.  Prepared for U.S. Environmental Protection Agency (EPA) Hazardous Site
       Control  Division, Remedial Operations Guidance Branch.  Arlington, Virginia. EPA Contract
       No. 68-W1-0021.  Work Assignment No. B-03.  Work Assignment Manager, Loren Henning.
       December.

RTI. 1994. "Draft ReportChemical Properties for Soil Screening Levels."  North Carolina.  July 26.

Smith, J.H., W.R. Mabey, N. Bahonos, B.R Holt, S.S. Lee, T.W. Chou, D.C. Venberger, and T. Mill.
       1978. Environmental Pathways of Selected Chemicals in Fresh Water Systems: Part II,
       Laboratory Studies.  Interagency  Energy-Environment Research Program Report.  Environmental
       Research Laboratory. Office of Research and Development. U.S. EPA. Athens, Georgia.
       EPA-600/7-78-074.  Page 304.

Stephenson, R.M., and S. Malanowski. 1987. Handbook of the Thermodynamics of Organic
       Compounds. Elsevier Publishing Company, Inc. New York.

Stephan, C.E., and others.  1993.  "Derivation of Proposed Human Health and Wildlife Bioaccumulation
       Factors for the Great Lakes Initiative." Office of Research and Development, U.S.
       Environmental Research Laboratory.  PB93-154672. Springfield, Virginia.

Stephens, R.D., M. Petreas, and G.H. Hayward.  1995.  "Biotransfer and Bioaccumulation of Dioxins and
       Furans from Soil:  Chickens as a Model  for Foraging Animals." The Science of the Total
       Environment. 175:253-273. July 20.

Thomann, R.V.  1989. "Bioaccumulation Model of Organic Chemical Distribution in Aquatic Food
       Chains." Environmental Science  and Technology. 23(6):699-707.

Thomann, R.V., J.P. Connolly, and T.F. Parkerton.  1992.  "An Equilibrium Model of Organic Chemical
       Accumulation in Aquatic Food Webs with Sediment Interaction."  Environmental Toxicology
       and Chemistry.  11:615 -629.

Thompson, S.E., C.A. Burton, D.J. Quinn, and Y.C. Ng. 1972.  "Concentration Factors of Chemical
       Elements in Edible Aquatic Organisms." Lawrence Radiation Laboratory. Livermore, CA.
       UCRL-50564, Revision 1. (Reference cited in updated version of Chapman, W.H., H.L. Fisher,
       and M.W. Pratt. 1968).

Travis, C.C. and A.D. Arms. 1988.  "Bioconcentration of Organics in Beef, Milk, and Vegetation."
       Environmental Science and Technology. 22:271 -274.

U.S. EPA. 1978. Environmental Pathways of Selected Chemicals in Freshwater Systems: Part II.
       Laboratory Studies.  Interagency  Energy-Environment Research and Development Program
       Report.  Environmental Research Laboratory. Athens, GA. EPA 600/7-78-074. May.

U.S. EPA. 1986. Superfund Public Health Evaluation Manual.  Office of Emergency and Remedial
       Response (OERR). Washington,  D.C. October.

U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                    A-2-21

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

U.S. EPA. 1990. Interim Final Methodology for Assessing Health Risks Associated with Indirect
       Exposure to Combustor Emissions.  EPA/600/6-90/003.  January.

U.S. EPA. 1992a. Handbook of Resource Conservation and Recovery Act (RCRA) Ground Water
       Monitoring Constituents: Chemical and Physical Properties.  EPA/530-R-92/022. Office of
       Solid Waste. Washington, D.C.

U.S. EPA. 1992b. Technical Support Document for the Land Application of Sewage Sludge.  Volumes I
       and II. EPA 822/R-93-001a. Office of Water.  Washington, D.C.

U.S. EPA. 1992c. Risk Reduction Engineering Laboratory Treatability DataBase. Version 5.0.

U.S. EPA. 1992d. Estimating Exposure to Dioxin-Like Compounds. Draft Report.  Office of Research
       and Development. Washington, D.C.  EPA/600/6-88/005B. August.

U.S. EPA. 1993a. Assessment Tools for the Evaluation of Risk.

U.S. EPA. 1993b. Derivation of Proposed Human Health and Wildlife Bioaccumulation Factors for the
       Great Lakes Initiative.  Office of Research and Development, U.S. Environmental Research
       Laboratory. Duluth, Minnesota. March.

U.S. EPA. 1993c. "Proposed Water Quality Guidance for the Great Lakes System."  Federal Register.
       58:20802. April 16.

U.S. EPA. 1993d. Review Draft Addendum to the Methodology for Assessing Health Risks Associated
       with Indirect Exposure to Combustor Emissions.  Office of Health and Environmental
       Assessment.  Office of Research and Development.  EPA-600-AP-93-003. November 10.

U.S. EPA. 1994a. Estimating Exposure to Dioxin-Like Compounds. Draft Report.  Office of Research
       and Development. Washington, D.C.  EPA/600/6-88/005Ca,b,c. June.

U.S. EPA. 1994b. Superjund Chemical Data Matrix.   OERR. Washington, D.C. June.

U.S. EPA 1994c. Draft Report-Chemical Properties for Soil Screening Levels.  Prepared for the OERR.
       Washington, DC. July 26.

U.S. EPA. 1994d. CHEM8-Compound Properties Estimation and Data. Version 1.00. CHEMDAT8
       Air Emissions Program. Prepared for Chemicals and Petroleum Branch, OAQPS. Research
       Triangle Park.  North Carolina. November 18.

U.S. EPA. 1994e. Integrated Risk Information System. December.

U.S. EPA. 1994f Revised Draft Guidance for Performing Screening Level Risk Analyses at Combustion
       Facilities Burning Hazardous  Wastes: Attachment C, Draft Exposure Assessment Guidance for
       RCRA Hazardous Waste Combustion Facilities. OERR. Office of Solid Waste. December 14.

U.S. EPA. 1994h. Methods for Derivation  of Inhalation Reference Concentrations and Application of
       Inhalation Dosimetry. ORD. EPA/600/8-90/066F.

U.S. EPA Region 6                                                              U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                    A-2-22

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

U.S. EPA. 1995a. Memorandum regarding Further Studies for Modeling the Indirect Exposure Impacts
       from Combustor Emissions. From Mathew Lorber, Exposure Assessment Group, and Glenn
       Rice, Indirect Exposure Team, Environmental Criteria and Assessment Office. Washington,
       D.C. January 20.

U.S. EPA. 1995b. Review Draft Development of Human Health-Based and Ecologically-Based Exit
       Criteria for the Hazardous Waste Identification Project. Volumes I and II. Office of Solid
       Waste. March 3.

U.S. EPA. 1995c. "Health Effects Assessment Summary Tables." Fiscal Year-1995 Annual. Office of
       Solid Waste and Emergency Response. Washington, D.C. EPA/540/R-95/036. May.

U.S. EPA. 1995d. WATERS-Air Emissions Models Wastewater Treatment.  Version 4.0. OAQPS.
       Research Triangle Park. North Carolina. May 1.

U.S. EPA. 1995e. Water Quality Guidance for the Great Lakes System. Supplementary Information
       Document.  Office of Water.  EPA-820-B-95-001. March.

U.S. EPA. 1995f Great Lakes Water Quality Initiative. Technical Support Document for the
       Procedure to Determine Bioaccumulation Factors. Office of Water. EPA-820-B-95-005.
       March.

U.S. EPA. 1996a. Mercury Study Report to  Congress. Volume III: An Assessment of Exposure from
       Anthropogenic Mercury Emissions in the United States.  SAB Review Draft.  Office of Air
       Quality Planning and Standards and Office of Research and Development. EPA-452/R-96-001c.
       April.

U.S. EPA. 1996b. Soil Screening Guidance: Technical Background Document and User's Guide.
       Office of Solid Waste and Emergency Response. Washington, D.C. EPA/540/R-95/128.  May.

U.S. EPA. 1996c. "Region 9 Preliminary Remediation Goals." Region 9.  August.

U.S. EPA. 1997a. "Risk-Based Concentrations."  Region 3.  June

U.S. EPA. 1997b. Integrated Risk Information System (IRIS). June - December.

U.S. EPA. 1997c. "Health Effects Assessment Summary Tables (HEAST). Fiscal Year 1997 Update".
       Office of Solid Waste and Emergency Response. EPA-540-R-97-036. PB97-921199.  July.

U.S. EPA. 1997d. " Risk Assessment Issue Papers for: Derivation of a Provisional Chronic and
       Subchronic RfC for Chloromethane (CASRN 74-87-3)."  Superfund Technical Support Center.
       National Center for Environmental Assessement. December.

U.S. EPA. 1997e. "Risk Assessment Issue Papers  for: Carcinogenicity Information for
       Tetrachloroethylene (CASRN 127-18-4)."  Superfund Technical Support Center. National
       Center for Environmental Assessement. December.

U.S. EPA. 1997f "Risk Assessment Issue Papers for: Derivation of a Provisional Subchronic Inhalation
       RfC for Benzene (CASRN 71-43-2)." Superfund Technical Support Center. National  Center for

U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                   A-2-23

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	August 1999

       Environmental Assessement. December.

U.S. EPA.  1997g.  Mercury Study Report to Congress. Volume III: Fate and Transport of Mercury in
       the Environment.  Office of Air Quality Planning and Standards and Office of Research and
       Development.  EPA-452/R-97-005. December.

U.S. EPA.  1997h.  Exposure Factors Handbook.  "Food Ingestion Factors".  Volume II.
       EPA/600/P-95/002Fb. August.

U.S. EPA.  1998. Screening Level Ecological Risk Assessment Protocol for Hazardous Waste
       Combustion Facilities.  Draft Interim Final.  April.

Veith, G.D., K.J. Macek, S.R. Petrocelli, and J. Caroll.  1980.  "An Evaluation of Using Partition
       Coefficients and Water Solubility to Estimate Bioconcentration Factors for Organic Chemicals in
       Fish."  Journal of Fish. Res. Board Can. Prepublication Copy.

Verschueren, K.  1983.  Handbook oj'EnvironmentalData on Organic Chemicals. Second Edition.
       Van Nostrand Reinhold Company.  New York.

Weast, R.C. 1981.  Handbook of Chemistry and Physics. 62nd Edition.  Cleveland, Ohio. CRC Press.

Welsch-Pausch, K.M. McLachlan, and G. Umlauf.  1995. "Determination of the Principal Pathways of
       Polychlorinated Dibenzo-p-dioxins and Dibenzofurans to Lolium Multiflorum (Welsh Ray
       Grass)". Environmental Science and Technology. 29: 1090-1098.
U.S. EPA Region 6                                                               U.S. EPA
Multimedia Planning and Permitting Division                                           Office of Solid Waste
Center for Combustion Science and Engineering                                                     A-2-24

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                             August 1999
Table

A-2-1

A-2-2

A-2-3

A-2-4

A-2-5

A-2-6

A-2-7

A-2-8

A-2-8a

A-2-9

A-2-10

A-2-11

A-2-12

A-2-13

A-2-14

A-2-15

A-2-16

A-2-17

A-2-18

A-2-19

A-2-20
                                   ATTACHMENT
               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES
                                     (Page 1 of 10)
CAS NUMBER 83-32-9:      ACENAPHTHENE
                                          Page

                                        A-2-35
CAS NUMBER 75-07-0:
CAS NUMBER 67-64-1:
CAS NUMBER 75-05-8:
CAS NUMBER 98-86-2:
ACETALDEHYDE 	 A-2-36
ACETONE	 A-2-37
ACETONITRILE	 A-2-38
ACETOPHENONE 	 A-2-39
CAS NUMBER 107-02-8:    ACROLEIN	 A-2-40

CAS NUMBER 107-13-1:    ACRYLONITRILE	 A-2-41

CAS NUMBER 309-00-2:    ALDRIN	 A-2-42

CAS NUMBER 7429-90-5:   ALUMINUM 	 A-2-43
CAS NUMBER 62-53-3:
ANILINE 	 A-2-44
CAS NUMBER 120-12-7:    ANTHRACENE	 A-2-45

CAS NUMBER 7440-36-0:   ANTIMONY	 A-2-46

CAS NUMBER 12674-11-2:  AROCLOR 1016 	 A-2-47

CAS NUMBER 11097-69-1:  AROCLOR 1254 	 A-2-48

CAS NUMBER 7440-38-2:   ARSENIC	 A-2-49

CAS NUMBER 1912-24-9:   ATRAZINE  	 A-2-50

CAS NUMBER 7440-36-3:   BARIUM	 A-2-51

CAS NUMBER 100-52-7:    BENZALDEHYDE 	 A-2-52
CAS NUMBER 71-43-2:
BENZENE 	 A-2-53
CAS NUMBER 56-55-3:     BENZO(A)ANTHRACENE	 A-2-54

CAS NUMBER 50-32-8:     BENZO(A)PYRENE  	 A-2-55
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                         U.S. EPA
                                                         Office of Solid Waste
                                                                   A-2-25

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                          August 1999
                                   ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                     (Page 2 of 10)

             CAS NUMBER 205-99-2:    BENZO(B)FLUORANTHENE	  A-2-56

             CAS NUMBER 207-08-9:    BENZO(K)FLUORANTHENE	  A-2-57

             CAS NUMBER 65-85-0:     BENZOIC ACID 	  A-2-58

             CAS NUMBER 100-47-0:    BENZONITRILE	  A-2-60

             CAS NUMBER 100-51-6:    BENZYL ALCOHOL 	  A-2-61

             CAS NUMBER 100-44-7:    BENZYL CHLORIDE	  A-2-62

             CAS NUMBER 7440-41-7:   BERYLLIUM	  A-2-63
A-2-21

A-2-22

A-2-23

A-2-24

A-2-25

A-2-26

A-2-27

A-2-28

A-2-29

A-2-30

A-2-31

A-2-32

A-2-33

A-2-34

A-2-35

A-2-36

A-2-37

A-2-38

A-2-39

A-2-40

A-2-41
             CAS NUMBER 319-84-6:
             CAS NUMBER 319-85-7:
             CAS NUMBER 111-44-4:
             CAS NUMBER 75-27-4:
BHC, ALPHA-	  A-2-64

BHC,BETA-  	  A-2-65

BIS(2-CHLORETHYL)ETHER	  A-2-66

BROMODICHLOROMETHANE  	  A-2-67
             CAS NUMBER 75-25-2:     BROMOFORM (TRIBROMOMETHANE) .  A-2-68

             CAS NUMBER 101-55-3:    BROMOPHENYL-PHENYLETHER, 4- ...  A-2-69

             CAS NUMBER 85-68-7:     BUTYLBENZYLPHTHALATE	  A-2-70

             CAS NUMBER 7440-43-9:   CADMIUM	  A-2-71
             CAS NUMBER 75-15-0:
             CAS NUMBER 56-23-5:
             CAS NUMBER 57-74-9:
CARBON DISULFIDE 	  A-2-72
CARBON TETRACHLORIDE	  A-2-73
CHLORDANE	  A-2-74
             CAS NUMBER 7782-50-5:   CHLORINE	  A-2-75

             CAS NUMBER 59-50-7:     CHLORO-3-METHYLPHENOL, 4-	  A-2-76

             CAS NUMBER 106-47-8:    CHLOROANILINE, p-	  A-2-77
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                      U.S. EPA
                                                                      Office of Solid Waste
                                                                                A-2-26

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                          August 1999
                                   ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                    (Page 3 of 10)

             CAS NUMBER 108-90-7:    CHLOROBENZENE	
A-2-42

A-2-43

A-2-44

A-2-45

A-2-46


A-2-47

A-2-48

A-2-49

A-2-50

A-2-51

A-2-52

A-2-53

A-2-54

A-2-54a

A-2-55

A-2-56

A-2-57

A-2-58

A-2-59

A-2-60

A-2-61
                                        A-2-78
             CAS NUMBER 510-15-6:     CHLOROBENZILATE	 A-2-79
             CAS NUMBER 75-45-6:
             CAS NUMBER 75-00-3:
CHLORODIFLUOROMETHANE	  A-2-80
CHLOROETHANE	  A-2-81
             CAS NUMBER 67-66-3:      CHLOROFORM
                                       (TRICHLOROMETHANE) 	 A-2-82

             CAS NUMBER 39638-32-9:   CHLOROISOPROPYL ETHER, BIS-1,2- . . A-2-83

             CAS NUMBER 91-58-7:      CHLORONAPHTHALENE, 2-	 A-2-84

             CAS NUMBER 95-57-8:      CHLOROPHENOL, 2- 	 A-2-85

             CAS NUMBER 7005-72-3:    CHLOROPHENYL-PHENYLETHER, 3- .. A-2-87

             CAS NUMBER 2921-88-2:    CHLOROPYRIFOS	 A-2-88

             CAS NUMBER 7440-47-3:    CHROMIUM	 A-2-89

             CAS NUMBER 18540-29-9:   CHROMIUM, HEXAVALENT	 A-2-90

             CAS NUMBER 218-01-9:     CHRYSENE	 A-2-91

             CAS NUMBER 7440-50-8:    COPPER	 A-2-92
             CAS NUMBER 108-39-4:

             CAS NUMBER 95-48-7:

             CAS NUMBER 106-44-5:

             CAS NUMBER 98-82-8:

             CAS NUMBER 57-12-5:

             CAS NUMBER 72-54-8:

             CAS NUMBER 72-55-9:
CRESOL,m-  	  A-2-93

CRESOL, o-	  A-2-94

CRESOL, p-	  A-2-95

CUMENE (ISOPROPYLBENZENE)	  A-2-96

CYANIDE	  A-2-97

ODD, 4,4'-	  A-2-98

DDE, 4,4'-	  A-2-99
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                      U.S. EPA
                                                                      Office of Solid Waste
                                                                               A-2-27

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                          August 1999
                                   ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                    (Page 4 of 10)

             CAS NUMBER 50-29-3:      DDT, 4,4'-	 A-2-100

             CAS NUMBER 84-74-2:      DI-N-BUTYL PHTHALATE	 A-2-101
A-2-62

A-2-63

A-2-64

A-2-65

A-2-66

A-2-67

A-2-68

A-2-69

A-2-70

A-2-71

A-2-72

A-2-73

A-2-74

A-2-75


A-2-76

A-2-77

A-2-78

A-2-79

A-2-80

A-2-81

A-2-82
             CAS NUMBER 117-84-0:
             CAS NUMBER 333-41-5:
             CAS NUMBER 53-70-3:
             CAS NUMBER 96-12-8:
             CAS NUMBER 124-48-1:
             CAS NUMBER 95-50-1:
             CAS NUMBER 541-73-1:
             CAS NUMBER 106-46-7:
             CAS NUMBER 91-94-1:
             CAS NUMBER 75-71-8:
             CAS NUMBER 75-34-3:
             CAS NUMBER 107-06-2:
             CAS NUMBER 75-35-4:
             CAS NUMBER 156-59-2:
             CAS NUMBER 156-60-5:
             CAS NUMBER 120-83-2:
             CAS NUMBER 78-87-5:
             CAS NUMBER 542-75-6:
             CAS NUMBER 62-73-7:
DI(N-OCTYL) PHTHALATE	  A-2-102

DIAZINON	  A-2-103

DIBENZO(A,H)ANTHRACENE  	  A-2-104

DIBROMO-3-CHLOROPROPANE 1,2-  ..  A-2-105

DIBROMOCHLOROMETHANE  	  A-2-106

DICHLOROBENZENE, 1,2-	  A-2-107

DICHLOROBENZENE, 1,3-	  A-2-108

DICHLOROBENZENE, 1,4-	  A-2-109

DICHLOROBENZIDINE, 3,3'-  	  A-2-110

DICHLORODIFLUOROMETHANE	  A-2-111

DICHLOROETHANE, 1,1-	  A-2-112

DICHLOROETHANE, 1,2- (ETHYLENE
DICHLORIDE)  	  A-2-113

DICHLOROETHYLENE, 1,1-  	  A-2-114

DICHLOROETHYLENE, CIS-1,2-  	  A-2-115

DICHLOROETHYLENE, 1,2(TRANS)-  ..  A-2-116

DICHLOROPHENOL, 2,4-	  A-2-117

DICHLOROPROPANE, 1,2-	  A-2-119

DICHLOROPROPENE, 1,3(CIS)-  	  A-2-120

DICHLORVOS  	  A-2-121
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                      U.S. EPA
                                                                      Office of Solid Waste
                                                                               A-2-28

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                          August 1999
                                   ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                     (Page 5 of 10)

             CAS NUMBER 60-57-1:     DIELDRIN	
A-2-83

A-2-84

A-2-85

A-2-86

A-2-87

A-2-88

A-2-89

A-2-90

A-2-91

A-2-92

A-2-93

A-2-94

A-2-95

A-2-96

A-2-97


A-2-98

A-2-99

A-2-100

A-2-101

A-2-102

A-2-103
                                       A-2-122
             CAS NUMBER 84-66-2:
DIETHYL PHTHALATE	  A-2-123
             CAS NUMBER 131-11-3:    DIMETHYL PHTHALATE 	  A-2-124
             CAS NUMBER 105-67-9:
             CAS NUMBER 119-90-4:
             CAS NUMBER 99-65-0:
             CAS NUMBER 51-28-5:
             CAS NUMBER 121-14-2:
             CAS NUMBER 606-20-2:
             CAS NUMBER 123-91-1:
             CAS NUMBER 122-66-7:
             CAS NUMBER 298-04-4:
             CAS NUMBER 115-29-7:
             CAS NUMBER 72-20-8:
             CAS NUMBER 106-89-8:
             CAS NUMBER 97-68-2:
             CAS NUMBER 62-50-0:
             CAS NUMBER 100-41-4:
             CAS NUMBER 106-93-4:
             CAS NUMBER 75-21-8:
DIMETHYLPHENOL, 2,4-	  A-2-125

DIMETHYOXYBENZIDINE, 3,3'  	  A-2-127

DINITROBENZENE, 1,3-	  A-2-128

DINITROPHENOL, 2,4-	  A-2-129

DINITROTOLUENE, 2,4-	  A-2-131

DINITROTOLUENE, 2,6-	  A-2-132

DIOXANE, 1,4-  	  A-2-133

DIPHENYLHYDRAZINE, 1,2-	  A-2-134

DISULFOTON	  A-2-135

ENDOSULFANI	  A-2-136

ENDRIN	  A-2-137

EPICHLOROHYDRIN (1-CHLORO-
2,3-EPOXYPROPANE)	  A-2-138

ETHYL METHACRYLATE	  A-2-139

ETHYL METHANESULFONATE	  A-2-140

ETHYLBENZENE	  A-2-141

ETHYLENE DIBROMIDE	  A-2-142

ETHYLENE OXIDE	  A-2-143
             CAS NUMBER 117-81-7:    ETHYLHEXYL PHTHALATE, BIS-2-  ...  A-2-144
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                      U.S. EPA
                                                                      Office of Solid Waste
                                                                               A-2-29

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                            August 1999
                                    ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                      (Page 6 of 10)

             CAS NUMBER 206-44-0:    FLUORANTHENE 	 A-2-145
A-2-104
A-2-105
A-2-106
A-2-107
A-2-112
A-2-113
A-2-114
A-2-115
A-2-116
A-2-117
A-2-118
A-2-119
A-2-120
A-2-121
A-2-122
A-2-123
A-2-124
             CAS NUMBER 86-73-7:
             CAS NUMBER 50-00-0:
             CAS NUMBER 64-18-6:
FLUORENE	  A-2-146
FORMALDEHYDE	  A-2-147
FORMIC ACID  	  A-2-148
A-2-108      CAS NUMBER 35822-46-9:  HEPTACDD, 1,2,3,4,6,7,8-  	 A-2-149

A-2-109      CAS NUMBER 67562-39-4:  HEPTACDF, 1,2,3,4,6,7,8-	 A-2-150

A-2-110      CAS NUMBER 55673-89-7:  HEPTACDF, 1,2,3,4,7,8,9-	 A-2-151

A-2-111      CAS NUMBER 76-44-8:     HEPTACHLOR	 A-2-152
             CAS NUMBER 1024-57-3:   HEPTACHLOR EPOXIDE	 A-2-153
             CAS NUMBER 39227-28-6:
             CAS NUMBER 57653-85-7:
             CAS NUMBER 19408-74-3:
             CAS NUMBER 70648-26-9:
             CAS NUMBER 57117-44-9:
             CAS NUMBER 72918-21-9:
             CAS NUMBER 60851-34-5:
             CAS NUMBER 87-68-3:
             CAS NUMBER 118-74-1:
             CAS NUMBER 77-47-4:
             CAS NUMBER 67-72-1:
             CAS NUMBER 70-30-4:
HEXACDD, 1,2,3,4,7,8-	  A-2-154

HEXACDD, 1,2,3,6,7,8-	  A-2-155

HEXACDD, 1,2,3,7,8,9-	  A-2-156

HEXACDF, 1,2,3,4,7,8- 	  A-2-157

HEXACDF, 1,2,3,6,7,8- 	  A-2-158

HEXACDF, 1,2,3,7,8,9- 	  A-2-159

HEXACDF, 2,3,4,6,7,8- 	  A-2-160

HEXACHLORO-1,3-BUTADIENE
(PERCHLOROBUTADIENE) 	  A-2-161

HEXACHLOROBENZENE 	  A-2-162

HEXACHLOROCYCLOPENTADIENE ..  A-2-163

HEXACHLOROETHANE
(PERCHLOROETHANE)	  A-2-164

HEXACHLOROPHENE	  A-2-165
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                        U.S. EPA
                                                                        Office of Solid Waste
                                                                                  A-2-30

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                              August 1999
                                   ATTACHMENT
               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES
                                     (Page 7 of 10)
A-2-125

A-2-126

A-2-127

A-2-128

A-2-129

A-2-130

A-2-131

A-2-132

A-2-133

A-2-134

A-2-135

A-2-136


A-2-137


A-2-138


A-2-139

A-2-140

A-2-141

A-2-142

A-2-143

A-2-144
CAS NUMBER 7647-01-0:   HYDROGEN CHLORIDE  	 A-2-166

CAS NUMBER 193-39-5:    INDENO(1,2,3-CD)PYRENE  	 A-2-167

CAS NUMBER 78-59-1:     ISOPHORONE  	 A-2-168

CAS NUMBER 7439-92-1:   LEAD 	 A-2-169

CAS NUMBER 121-75-5:    MALATHIONE	 A-2-170

CAS NUMBER 7487-94-7:   MERCURIC CHLORIDE	 A-2-171

CAS NUMBER 7439-97-6:   MERCURY	 A-2-172

CAS NUMBER 126-98-7:    METHACRYLONITRILE  	 A-2-173
CAS NUMBER 67-56-1:
CAS NUMBER 72-43-5:
CAS NUMBER 79-20-9:
CAS NUMBER 74-83-9:
CAS NUMBER 74-87-3:
CAS NUMBER 78-93-3:
CAS NUMBER 108-10-1:
METHANOL	 A-2-174

METHOXYCHLOR 	 A-2-175

METHYL ACETATE  	 A-2-176

METHYL BROMIDE
(BROMOMETHANE)	 A-2-177

METHYL CHLORIDE
(CHLOROMETHANE)	 A-2-178

METHYL ETHYL KETONE
(2-BUTANONE)	 A-2-179

METHYL ISOBUTYL  KETONE	 A-2-180
CAS NUMBER 22967-92-6:  METHYL MERCURY	 A-2-181

CAS NUMBER 298-00-0:    METHYL PARATHION	 A-2-182
CAS NUMBER 74-95-3:
CAS NUMBER 75-09-2:
CAS NUMBER 91-20-3:
METHYLENE BROMIDE  	 A-2-183
METHYLENE CHLORIDE	 A-2-184
NAPHTHALENE	 A-2-185
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                         U.S. EPA
                                                         Office of Solid Waste
                                                                   A-2-31

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                           August 1999
                                   ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                     (Page 8 of 10)

             CAS NUMBER 7440-02-0:   NICKEL	
A-2-145

A-2-146

A-2-147

A-2-148

A-2-149

A-2-150

A-2-151

A-2-152

A-2-153

A-2-154

A-2-155

A-2-156

A-2-157

A-2-158

A-2-159

A-2-160

A-2-161


A-2-162

A-2-163

A-2-164
                                       A-2-186
             CAS NUMBER 88-74-4:
             CAS NUMBER 99-09-2:
             CAS NUMBER 100-01-6:
             CAS NUMBER 98-95-3:
             CAS NUMBER 88-75-5:
             CAS NUMBER 100-02-7:
             CAS NUMBER 924-16-3:
             CAS NUMBER 86-30-6:
             CAS NUMBER 621-64-7:
             CAS NUMBER 3268-87-9:
             CAS NUMBER 39001-02-0:
             CAS NUMBER 40321-76-4:
             CAS NUMBER 57117-41-6:
             CAS NUMBER 57117-31-4:
             CAS NUMBER 608-93-5:
             CAS NUMBER 82-68-8:
             CAS NUMBER 87-86-5:
             CAS NUMBER 85-01-8:
NITROANILINE, 2- 	  A-2-187

NITROANILINE, 3- 	  A-2-188

NITROANILINE, 4- 	  A-2-189

NITROBENZENE	  A-2-190

NITROPHENOL, 2-	  A-2-191

NITROPHENOL, 4-	  A-2-192

NITROSO-DI-N-BUTYLAMINE, N-	  A-2-193

NITROSODIPHENYLAMINE, N-	  A-2-194

NITROSODIPROPYLAMINE, N	  A-2-195

OCTACDD, 1,2,3,4,6,7,8,9-  	  A-2-196

OCTACDF, 1,2,3,4,6,7,8,9-  	  A-2-197

PENTACDD, 1,2,3,7,8-  	  A-2-198

PENTACDF, 1,2,3,7,8-	  A-2-199

PENTACDF, 2,3,4,7,8-	  A-2-200

PENTACHLOROBENZENE  	  A-2-201

PENTACHLORONITROBENZENE
(PCNB)	  A-2-202

PENTACHLOROPHENOL  	  A-2-203

PHENANTHRENE 	  A-2-205
             CAS NUMBER 108-95-2:    PHENOL 	 A-2-206
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                      U.S. EPA
                                                                      Office of Solid Waste
                                                                                A-2-32

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                           August 1999
                                    ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                     (Page 9 of 10)

             CAS NUMBER 298-02-2:     PHORATE	
A-2-165

A-2-166


A-2-167

A-2-168

A-2-169

A-2-170

A-2-171

A-2-172

A-2-173

A-2-174

A-2-175

A-2-176

A-2-177

A-2-178

A-2-179

A-2-180

A-2-181


A-2-182

A-2-183

A-2-184
                                       A-2-208
             CAS NUMBER 85-44-9:      PHTHALIC ANHYDRIDE (1,2-BENZENE
                                        DICARBOXYLIC ANHYDRIDE)  	  A-2-209

             CAS NUMBER 23950-58-5:   PRONAMIDE	  A-2-210

             CAS NUMBER 129-00-0:     PYRENE	  A-2-211

             CAS NUMBER 110-86-1:     PYRIDINE	  A-2-212

             CAS NUMBER 299-84-3:     RONNEL 	  A-2-213
             CAS NUMBER 94-59-1:
SAFROLE  	 A-2-214
             CAS NUMBER 7782-49-2:    SELENIUM  	  A-2-215

             CAS NUMBER 7440-22-4:    SILVER  	  A-2-216
             CAS NUMBER 57-24-9:
STRYCHNINE	 A-2-217
             CAS NUMBER 100-42-5:     STYRENE  	  A-2-218

             CAS NUMBER 1746-01-6:    TETRACDD, 2,3,7,8-	  A-2-219

             CAS NUMBER 51207-31-9:   TETRACDF, 2,3,7,8-	  A-2-220

             CAS NUMBER 95-94-3:      TETRACHLOROBENZENE, 1,2,4,5-  	  A-2-221

             CAS NUMBER 630-20-6:     TETRACHLOROETHANE, 1,1,1,2-  	  A-2-222

             CAS NUMBER 79-34-5:      TETRACHLOROETHANE, 1,1,2,2-  	  A-2-223
             CAS NUMBER 127-18-4:
             CAS NUMBER 58-90-2:
             CAS NUMBER 109-99-9:
TETRACHLOROETHYLENE
(PERCHLOROETHYLENE)  	 A-2-224

TETRACHLOROPHENOL, 2,3,4,6- 	 A-2-225

TETRAHYDROFURAN	 A-2-227
             CAS NUMBER 7440-28-0:    THALLIUM (L)	  A-2-228
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                       U.S. EPA
                                                                       Office of Solid Waste
                                                                                 A-2-33

-------
Screening Level Ecological Risk Assessment Protocol
Appendix A-2	
                                                                           August 1999
                                    ATTACHMENT

               TABLES OF COMPOUND-SPECIFIC PARAMETER VALUES

                                     (Page 10 of 10)

             CAS NUMBER 108-88-3:     TOLUENE	
A-2-185
A-2-229
A-2-186      CAS NUMBER 95-53-4:
A-2-187      CAS NUMBER 87-61-6:
A-2-188      CAS NUMBER 120-82-1:
A-2-189      CAS NUMBER 71-55-6:
A-2-190      CAS NUMBER 79-00-5:
A-2-191      CAS NUMBER 79-01-6:
A-2-192      CAS NUMBER 75-69-4:
A-2-193      CAS NUMBER 95-95-4:
A-2-194      CAS NUMBER 88-06-2:
A-2-195      CAS NUMBER 96-18-4:
A-2-196      CAS NUMBER 108-67-8:
A-2-197      CAS NUMBER 99-35-4:
A-2-198      CAS NUMBER 118-96-7:
A-2-199      CAS NUMBER 108-05-4:
A-2-200      CAS NUMBER 75-01-4:
A-2-201      CAS NUMBER 108-38-3:
A-2-202      CAS NUMBER 95-47-6:
A-2-203      CAS NUMBER 106-42-3:
A-2-204      CAS NUMBER 7440-66-6:
                                        TOLUIDINE, o-	 A-2-230

                                        TRICHLOROBENZENE, 1,2,3-	 A-2-231

                                        TRICHLOROBENZENE, 1,2,4-	 A-2-232

                                        TRICHLOROETHANE, 1,1,1-	 A-2-233

                                        TRICHLOROETHANE, 1,1,2-	 A-2-234

                                        TRICHLOROETHYLENE	 A-2-235

                                        TRICHLOROFLUOROMETHANE
                                        (FREON11)	 A-2-236

                                        TRICHLOROPHENOL, 2,4,5-	 A-2-237

                                        TRICHLOROPHENOL, 2,4,6-	 A-2-238

                                        TRICHLOROPROPANE, 1,2,3-	 A-2-240

                                        TRIMETHYLBENZENE, 1,3,5-	 A-2-241

                                        TRINITROBENZENE, 1,3,5(SYM)-	 A-2-242

                                        TRINITROTOLUENE, 2,4,6-	 A-2-243

                                        VINYL ACETATE	 A-2-244

                                        VINYL CHLORIDE 	 A-2-245

                                        XYLENE,m- 	 A-2-246

                                        XYLENE, o-	 A-2-247

                                        XYLENE, p-	 A-2-248

                                        ZINC	 A-2-249
U.S. EPA Region 6
Multimedia Planning and Permitting Division
Center for Combustion Science and Engineering
                                                                       U.S. EPA
                                                                       Office of Solid Waste
                                                                                 A-2-34

-------
                                             TABLE A-2-1

                    CHEMICAL-SPECIFIC INPUTS FOR ACENAPHTHENE (83-32-9)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is
cited in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in
soil. Measured organic carbon in soil, specific to site conditions, should be
used to calculate Kd,, because the value varies, depending on the fraction of
organic carbon in soil. Kds value calculated using Koc value provided in this
table.
Kd^, value was calculated by using the correlation equation with Koc that is
cited in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment,
specific to site conditions, should be used to calculate Kd^,, because the value
varies, depending on the fraction of organic carbon in suspended sediment.
Kdm value was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is
cited in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in
bottom sediment. Measured organic carbon in bottom sediment, specific to
site conditions, should be used to calculate Kdbs, because the value varies,
depending on the fraction of organic carbon in bottom sediment. Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and
Bidleman (1988). Recommended value ofFv was calculated by using Tm and
Vp values that are provided in this table. Vp value for this compound was
converted to a liquid-phase value before being used in the calculations.
154.21
368.1
4.93E-06at25C(solid)
4.13E+00
1.84E-04
4.21E-02
7.19E-06
9.22E+03
4.90E+03
4.90E+01
3.67E+02
1.96E+02
2.48E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-35

-------
                                                 TABLE A-2-2

                      CHEMICAL-SPECIFIC INPUTS FOR ACETALDEHYDE (75-07-0)

                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&/ (L/Kg)
r^(cm3/g)
ksg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
--
--
-
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was assumed to be 1.0 due to a lack of data.
44.05
149.6
ND
ND
ND
2.72E-01
1.33E-05
6.02E-01
9.53E-01
9.53E-03
7.15E-02
3.81E-02
0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                     A-2-36

-------
                                              TABLE A-2-3
                         CHEMICAL-SPECIFIC INPUTS FOR ACETONE (67-64-1)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in Karickoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic carbon
in soil. Recommended Kds value was calculated by using the Koc value that is
provided in this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided in
the table.
58.08
179.1
2.99E-01
at 25C (liquid)
6.04E+05
2.88E-05
1.87E-01
1.15E-05
6.00E-01
9.51E-01
9.51E-03
7.13E-02
3.61E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-37

-------
                                             TABLE A-2-4

                     CHEMICAL-SPECIFIC INPUTS FOR ACETONITRILE (75-05-8)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m'/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Km (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
fesg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Howard (1989-1993)
Howard (1989-1993)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
log Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value ofFv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
41.05
318.1
1.20E-01 at 25C (solid)
7.50E+04
6.57E-05
3.14E-01
1.40E-05
4.57E-01
7.69E-01
7.69E-03
5.76E-02
9.03E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-38

-------
                                             TABLE A-2-5
                    CHEMICAL-SPECIFIC INPUTS FOR ACETOPHENONE (98-86-2)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
^CCL/Kg)
ksg (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
120.50
293.6
5.20E-04
at25C
(solid)
6.10E+03
1.03E-05
6.00E-02
8.73E-06
4.37E+01
2.69E+01
2.69E-01
2.02E+00
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-39

-------
                                              TABLE A-2-6
                        CHEMICAL-SPECIFIC INPUTS FOR ACROLEIN (107-02-8)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m'/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&/ (L/Kg)
fesg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in this table.
56.06
185.1
3.50E-01
at 25C
(liquid)
2.10E+05
9.34E-05
1.92E-01
1.22E-05
9.80E-01
1.39E+00
1.39E-02
1.05E-01
9.03E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-40

-------
                                             TABLE A-2-7
                    CHEMICAL-SPECIFIC INPUTS FOR ACRYLONITRILE (107-13-1)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
53.06
189.6
1.40E-01 at 25C (liquid)
7.50E+04
9.90E-05
2.11E-01
1.23E-05
1.78E+00
2.22E+00
2.22E-02
1.66E-01
1.10E+01
1.0
Note:
NA= Not applicable
ND= No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-41

-------
                                              TABLE A-2-8
                         CHEMICAL-SPECIFIC INPUTS FOR ALDRIN (309-00-2)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
JM,(cm3/g)
^CCL/Kg)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated by
using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994f).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Km that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Km value that is provided in this
table.
Kd^ value was calculated by using the correlation equation with Km that is cited in U.S.
EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended sediment.
Measured organic carbon in suspended sediment, specific to site conditions, should be
used to calculate Kd^, because the value varies, depending on the fraction of organic
carbon in suspended sediment. Recommended Kd^ value was calculated by using the
Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in U.S.
EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be used
to calculate Kdbs, because the value varies, depending on the fraction of organic carbon
in bottom sediment. Recommended Kdbs value was calculated by using the Koc value
that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman (1988).
Recommended value of Fv was calculated by using Tm and Vp values that are provided
in this table. Vp value for this compound was converted to a liquid-phase value before
being used in the calculations.
364.93
377.1
2.20E-08 at 25C (solid)
7.84E-02
1.02E-04
1.43E-02
4.40E-06
1.51E+06
4.87E+04
4.87E+02
3.65E+03
1.95E+03
4.28E-01
0.9955
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-42

-------
                                                TABLE A-2-8a

                        CHEMICAL-SPECIFIC INPUTS FOR ALUMINUM (7429-90-5)

                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fag (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the S and Vp values are zero for all metals except
mercury.
Da value was calculated using the equation cited in (U.S. EPA 1996a).
Dw value was calculated using the equation cited in (U.S. EPA 1996a).
--
--
--
--
--
--
Because they are nonvolatile (except mercury), metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in U.S. EPA (1994f).
26.98
933
0.0
NA
0.0
2.11E-01
2.44E-05
NA
NA
ND
ND
ND
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-43

-------
                                              TABLE A-2-9


                         CHEMICAL-SPECIFIC INPUTS FOR ANILINE (62-53-3)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Vp (atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
^(cmVg)
Kd^ (L/Kg)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
NCDEHNR(1997)
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
93.12
266.8
8.80E-04
at25C
(liquid)
3.60E+04
2.28E-06
8.56E-01
1.01E-05
9.55E+00
8.23E+00
8.23E-02
6.17E-01
3.20E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-44

-------
                                             TABLE A-2-10
                     CHEMICAL-SPECIFIC INPUTS FOR ANTHRACENE (120-12-7)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
178.22
491.1
3.35E-08
at 25C
(solid)
5.37E-02
1.11E-04
3.24E-02
7.74E-06
2.95E+04
2.35E+04
2.35E+02
1.76E+03
9.40E+02
5.50E-01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-45

-------
                                             TABLE A-2-11


                       CHEMICAL-SPECIFIC INPUTS FOR ANTIMONY (7440-36-0)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mLlg)
Kdn (L/Kg)
Kdbs(mL/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1 996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MTNTEQ2 geochemical speciation
model.
Kd^ value is assumed to be same as the Kds value, because organic carbon
does not play a major role in sorption for the metals, as cited in
U.S. EPA(1994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon
does not play a major role in sorption for the metals, as cited in
U.S. EPA(1994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
121.75
903.1
0.0
NA
0.0
7.73E-02
8.96E-06
NA
NA
45atpH=6.8
45atpH=6.8
45atpH=6.8
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-46

-------
                                              TABLE A-2-12
                    CHEMICAL-SPECIFIC INPUTS FOR AROCLOR 1016 (12674-11-2)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
^T^, (unitless)
Koc (mL/g)
JM,(cm3/g)
^^ (L/Kg)
&4(cm3/g)
fag (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
--
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table.
257.9
ND
9.37E-07
at 25C (liquid)
5.71E-01
4.23E-04
4.69E-02
5.43E-06
2.53E+05
2.32E+04
2.32E+02
1.74E+03
9.29E+02
5.06E+00
0.999
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-47

-------
                                              TABLE A-2-13
                    CHEMICAL-SPECIFIC INPUTS FOR AROCLOR 1254 (11097-69-1)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
JM,(cm3/g)
Kd^ (L/Kg)
&4(cm3/g)
ksg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
327.0
283.1
1.16E-07 at 25C (liquid)
5.15E-02
7.37E-04
4.00E-02
4.64E-06
1.61E+06
9.83E+04
9.83E+04
7.37E+03
3.93E+03
5.06E+00
0.993
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-48

-------
                                             TABLE A-2-14


                        CHEMICAL-SPECIFIC INPUTS FOR ARSENIC (7440-38-2)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mL/g)
Kd^ (L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1 996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MTNTEQ2 geochemical speciation
model.
Kd^ value is assumed to be same as the Kds value, because organic carbon
does not play a major role in sorption for the metals, as cited in
U.S. EPA(1994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon
does not play a major role in sorption for the metals, as cited in
U.S. EPA(1994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
74.92
1,091 at36atm
0.0
0.0
0.0
1.07E-01
1.24E-05
NA
NA
25atpH=4.9;
29atpH=6.8;
31atpH=8.0
25atpH=4.9;
29atpH=6.8;
31atpH=8.0
25atpH=4.9;
29atpH=6.8;
31atpH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-49

-------
                                             TABLE A-2-15
                       CHEMICAL-SPECIFIC INPUTS FOR ATRAZINE (1912-24-9)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
JM,(cm3/g)
Kd^ (L/Kg)
&4(cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Budavari, O'Neil, Smith, and Heckelman (1989)
S value cited in Howard and others 1989 - 1993
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
log Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard
(1989-1993).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
215.68
444.1
3.66xlO-10at25C(solid)
3.00E+01
2.63E-09
2.80E-02
6.03E-06
4.07E+02
1.54E+02
1.54E+00
1.15E+01
6.15E+00
1.04E+01
0.945
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-50

-------
                                                TABLE A-2-16


                          CHEMICAL-SPECIFIC INPUTS FOR BARIUM (7440-39-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mLlg)
Kdn (L/Kg)
4(mL/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1 996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MTNTEQ2 geochemical speciation
model.
Kd^ value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994fj.
137.33
983
0.0
0.0
0.0
7.14E-02
8.26E-06
NA
NA
llatpH=4.9;
41atpH=6.8;
52atpH=8.0
llatpH=4.9;
41atpH=6.8;
52atpH=8.0
llatpH=4.9;
41atpH=6.8;
52atpH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-51

-------
                                                TABLE A-2-17
                     CHEMICAL-SPECIFIC INPUTS FOR BENZALDEHYDE (100-52-7)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
JM,(cm3/g)
T^(L/Kg)
rrffa(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in NC DEHNR (1997).
S value cited in NC DEHNR (1997).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in NC DEHNR (1997).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
106.12
329.6
1.30E-03 at 25C (solid)
3.30E+03
4.18E-05
7.07E-02
9.48E-06
3.00E+01
2.01E+01
2.01E-01
1.51E+00
8.04E-01
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-52

-------
                                               TABLE A-2-18
                          CHEMICAL-SPECIFIC INPUTS FOR BENZENE (71-43-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Mackay,
Shiu, and Ma (1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
78.11
278.6
1.25E-01
at25C
(liquid)
1.78E+03
5.49E-03
1.17E-01
1.02E-05
137
6.20E+01
6.20E-01
4.65E+00
2.48E+00
3.89E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-53

-------
                                            TABLE A-2-19
                CHEMICAL-SPECIFIC INPUTS FOR BENZO(A)ANTHRACENE (56-55-3)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
*M,(mL/g)
^4, (L/Kg)
4(mL/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
228.28
433
2.03E-10
at25C
(solid)
1.28E-02
3.62E-06
2.47E-02
6.21E-06
4.77E+05
2.60E+05
2.60E+03
1.95E+04
1.04E+04
3.72E-01
8.81E-01
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-54

-------
                                               TABLE A-2-20
                     CHEMICAL-SPECIFIC INPUTS FOR BENZO(A)PYRENE (50-32-8)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (mL/g)
^CCL/Kg)
rrffa(mL/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database in U.S. EPA (1994d).
Dv value was obtained from CHEMDAT8 database in U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
252.3
452
6.43E-12
at 25C
(solid)
1.94E-03
8.36E-07
2.18E-02
5.85E-06
1.35E+06
9.69E+05
9.69E+03
7.27E+04
3.87E+04
4.77E-01
2.65E-01
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-55

-------
                                               TABLE A-2-21


                CHEMICAL-SPECIFIC INPUTS FOR BENZO(B)FLUORANTHENE (205-99-2)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (mL/g)
T^(L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, cited in U.S. EPA (1994c). Koc value was calculated by using the
recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
252.32
441
1.06E-10
at25C
(solid)
4.33E-03
6.18E-06
2.28E-02
5.49E-06
1.59E+06
8.36E+05
8.36E+03
6.27E+04
3.34E+04
4.15E-01
0.822
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-56

-------
                                            TABLE A-2-22


               CHEMICAL-SPECIFIC INPUTS FOR BENZO(K)FLUORANTHENE (207-08-9)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (mL/g)
T^(L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
U.S. EPA(1994b)
U.S. EPA(1994b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, cited in U.S. EPA (1994c). Koc value was calculated by using the
recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Lyman,
Reehl, and Rosenblatt (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
252.32
490
1.32E-12
at25C
(solid)
8.0E-04
4.15E-07
2.28E-02
5.49E-06
1.56E+06
8.32E+05
8.32E+03
6.24E+04
3.33E+04
1.18E-01
0.149
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-57

-------
                    TABLE A-2-23
CHEMICAL-SPECIFIC INPUTS FOR BENZOIC ACID (65-85-0)




                     (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)

S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)












Kds (cmVg)
T^(L/Kg)
Sfa(cm3/g)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)

Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).












Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
122.12
395.5
8.57E-06
at 25C
(solid)


3.13E+03
3.34E-07
5.36E-02
8.80E-06
7.60E+01
pH
2
3
4
5
6
7
8
9
10
11
12
13
14
Koc
31.98
31.80
30.13
19.81
4.81
0.99
0.55
0.50
0.50
0.50
0.50
0.50
0.50
0.50
5.50E-03
4.13E-02
2.20E-02
                        A-2-58

-------
                                             TABLE A-2-23
                      CHEMICAL-SPECIFIC INPUTS FOR BENZOIC ACID (65-85-0)

                                              (Page 2 of 2)
Parameter
ksg (year)'1
Fv (unitless)
Reference and Explanation
Ksg value was calculated by using the chemical half-life in soil, as cited Howard
(1989-1993).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
Value
1.26E+02
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-59

-------
                                               TABLE A-2-24


                      CHEMICAL-SPECIFIC INPUTS FOR BENZONITRILE (100-47-0)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dw (cm2/s)
^T^, (unitless)
Koc (mL/g)
&/, (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckehnan (1989)
--
--
--
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dn value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kdm, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was assumed to be 1.0 due to a lack of data.
103.12
285.85
ND
ND
ND
7.45E-02
9.43E-06
3.63E+01
2.33E+01
2.33E-01
1.75E+00
9.33E-01
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-60

-------
                                            TABLE A-2-25


                   CHEMICAL-SPECIFIC INPUTS FOR BENZYL ALCOHOL (100-51-6)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckehnan (1989)
Geometric mean value cited in U.S. EPA (1994c).
S value cited in U.S. EPA (1992a).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard
(1989-1993).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
108.13
288.29
1.40E-04 at 25C (solid)
4.00E+04
3.78E-07
6.89E-02
9.38E-06
1.26E+01
1.02E+01
1.02E-01
7.66E-01
4.09E-01
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-61

-------
                                               TABLE A-2-26
                   CHEMICAL-SPECIFIC INPUTS FOR BENZYL CHLORIDE (100-44-7)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
126.58
225.1
1.60E-03
at25C
(liquid)
4.90E+02
4.13E-04
5.43E-02
8.80E-06
2.00E+02
8.83E+01
8.83E-01
6.62E+00
3.53E+00
2.09E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-62

-------
                                               TABLE A-2-27


                       CHEMICAL-SPECIFIC INPUTS FOR BERYLLIUM (7440-41-7)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mLlg)
Kdn (L/Kg)
4(mL/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1 996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MTNTEQ2 geochemical speciation
model.
Kd^ value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994fj.
9.01
1,560
0.0
0.0
0.0
4.39E-01
5.08E-05
NA
NA
23atpH=4.9;
790atpH=6.8;
1.0E+05atpH=8
23atpH=4.9;
790atpH=6.8;
1.0E+05atpH=8
23atpH=4.9;
790atpH=6.8;
1.0E+05atpH=8
.0
.0
.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-63

-------
                                             TABLE A-2-28
                       CHEMICAL-SPECIFIC INPUTS FOR ALPHA-BHC (319-84-6)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994g).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
290.0
432.2
5.61E-08
at25C
(solid)
2.40E+00
6.78E-06
0.0191
5.04E-06
6.30E+03
1.76E+03
1.76E+01
1.32E+02
7.05E+01
1.87E+00
1.000
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-64

-------
                                                TABLE A-2-29
                         CHEMICAL-SPECIFIC INPUTS FOR BETA-BHC (319-85-7)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
^(cmVg)
^4, (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in Karickoff and Long (1995).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
290.83
582.1
6.45E-10
at25C
(solid)
5.42E-01
3.46E-07
1.9E-02
5.40E-06
6.81E+03
2.14E+03
2.14E+01
1.60E+02
8.56E+01
2.04E+00
0.999
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-65

-------
                                               TABLE A-2-30


               CHEMICAL-SPECIFIC INPUTS FOR BIS(2-CHLORETHYL)ETHER (111-44-4)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
143.02
223.1
1.76E-03 at 25C (liquid)
1.18E+04
2.13E-05
4.40E-02
8.70E-06
2.00E+01
7.60E+01
7.60E-01
5.70E+00
3.04E+00
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-66

-------
                                             TABLE A-2-31
              CHEMICAL-SPECIFIC INPUTS FOR BROMODICHLOROMETHANE (75-27-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdm (L/Kg)
SUcmVg)
ksg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
163.83
218.1
7.68E-02
at 25C
(liquid)
3.97E+03
3.17E-03
2.98E-02
1.06E-05
1.06E+02
5.38E+01
5.38E-01
4.03E+00
2.15E+00
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-67

-------
                                              TABLE A-2-32
                      CHEMICAL-SPECIFIC INPUTS FOR BROMOFORM (75-25-2)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
&/, (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
252.77
280.6
7.82E-03
at 25C
(liquid)
3.21E+03
6.16E-04
1.41E-02
1.03E-05
2.24E+02
1.26E+02
1.26E+00
9.45E+00
5.04E+00
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-68

-------
                                               TABLE A-2-33


            CHEMICAL-SPECIFIC INPUTS FOR 4-BROMOPHENYL-PHENYLETHER (101-55-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
r^(cm3/g)
ksg (year)'1
.Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in Montgomery and Welkom (1991).
--
--
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kdm value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koe value that is provided
in this table.
Kdts value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
Ksg value wasassumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
249.2
291.8
1.97E-06
at 25C (liquid)
ND
ND
1.98E-02
6.83E-06
1.10E+05
1.21E+04
1.21E+02
9.09E+02
4.85E+02
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-69

-------
                                              TABLE A-2-34


               CHEMICAL-SPECIFIC INPUTS FOR BUTYLBENZYLPHTHALATE (85-68-7)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Howard (1989-1993)
Howard (1989-1993)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should
be used to calculate Kdbs, because the value varies depending on the fraction of
organic fraction in bottom sediment. Recommended Kdbs value was calculated
by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is
provided in this table.
312.39
238.0
1.58E-08
at 25C
(liquid)
2.58E+00
1.91E-06
1.65E-02
5.17E-06
2.59E+04
1.37E+04
1.37E+02
1.03E+03
5.50E+02
3.61E+01
9.64E-01
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-70

-------
                                                TABLE A-2-35


                        CHEMICAL-SPECIFIC INPUTS FOR CADMIUM (7440-43-9)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
Tm (K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Km (mL/g)
Kds (mL/g)
Kd^ (L/Kg)
Kdbs (mL/g)
ksg (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
-
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MINTEQ2 geochemical speciation
model.
Kdn, value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
-
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
112.41
594.1
0.0
0.0
0.0
8.16E-02
9.45E-06
NA
NA
15atpH=4.9;
75atpH=6.8;
4.3E+03 at
pH=8.0
15atpH=4.9;
75atpH=6.8;
4.3E+03 at
pH=8.0
15atpH=4.9;
75atpH=6.8;
4.3E+03 at
pH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-71

-------
                                            TABLE A-2-36
                   CHEMICAL-SPECIFIC INPUTS FOR CARBON DISULFIDE (75-15-0)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
76.14
161.5
4.47E-01
at 25C
(liquid)
2.67E+03
1.27E-02
1.04E-01
1.29E-05
l.OOE+02
5.14E+01
5.14E-01
3.86E+00
2.06E+00
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-72

-------
                                            TABLE A-2-37


               CHEMICAL-SPECIFIC INPUTS FOR CARBON TETRACHLORIDE (56-23-5)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
&/, (cmVg)
Kd^ (L/Kg)
&4(cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using tbeMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
!) value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Kx value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
153.84
250.1
1.48E-01
at 25C
(liquid)
7.92E+02
2.87E-02
3.56E-02
9.77E-06
5.21E+02
1.52E+02
1.52E+00
1.14E+01
6.08E+00
7.03E-01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-73

-------
                                             TABLE A-2-38
                       CHEMICAL-SPECIFIC INPUTS FOR CHLORDANE (57-74-9)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kd. (cm3/g)
T^(L/Kg)
^fa(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
409.80
381.1
3.55E-08
at 25C
(solid)
5.51E-01
2.64E-05
1.18E-02
4.37E-06
8.66E+05
5.13E+04
5.13E+02
3.85E+03
2.05E+03
1.83E-01
0.997
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-74

-------
                                             TABLE A-2-39


                       CHEMICAL-SPECIFIC INPUTS FOR CHLORINE (7782-50-5)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mL/g)
T^(L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
--
--
--
--
--
--
--
--
--
--
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA (19941).
71.90
172.1
ND
ND
ND
1.10E-01
1.27E-05
NA
NA
ND
ND
ND
ND
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-75

-------
                                               TABLE A-2-40


              CHEMICAL-SPECIFIC INPUTS FOR 4-CHLORO-3-METHYLPHENOL (59-50-7)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S(mg/L)
H (atm-m'/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
&/, (cm3/g)
Kd^ (L/Kg)
&/,,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S. EPA(1994b)
U.S.EPA(1992a)
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdb, value
was calculated by using the Kac value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Lucius (1992).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided
in this table.
142.58
328.6
1.08E-05
3.85E+03
4.00E-07
6.96E-02
8.06E-06
1.26E+03
3.71E+02
3.71E+00
2.78E+01
1.48E+01
1.10E+01
0.9999
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-76

-------
                                             TABLE A-2-41
                   CHEMICAL-SPECIFIC INPUTS FOR P-CHLOROANILINE (106-47-8)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due a a lack of data.
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
127.57
345.6
3.09E-05
at 25C
(solid)
3.36E+03
1.17E-06
4.80E-02
1.02E-05
7.40E+01
Koc is 41 for pH range of 4.9
to 8
4.06E-01
3.05E+00
1.63E+00
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-77

-------
                                            TABLE A-2-42
                   CHEMICAL-SPECIFIC INPUTS FOR CHLOROBENZENE (108-90-7)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&C (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
112.56
228.1
1.59E-02
at 25C
(liquid)
4.09E+02
4.38E-03
6.35E-02
9.49E-06
6.16E+02
2.24E+02
2.24E+00
1.68E+01
8.96E+00
1.69E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-78

-------
                                            TABLE A-2-43
                  CHEMICAL-SPECIFIC INPUTS FOR CHLOROBENZILATE (510-15-6)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
&/, (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Howard (1989-1993)
Howard (1989-1993)
Howard (1989-1993)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
A, value was obtained from WATERS model database (U.S. EPA 1995d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
325.20
309.0
2.90E-09at25C(solid)
1.30E+01
7.24E-08
1.65E-02
4.72E-06
2.40E+04
3.69E+03
3.69E+01
2.77E+02
1.48E+02
7.23E+00
8.62E-01
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-79

-------
                                             TABLE A-2-44


              CHEMICAL-SPECIFIC INPUTS FOR CHLORODIFLUOROMETHANE (75-45-6)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
^T^, (unitless)
Koc (mL/g)
&/, (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fag (year)'1
Fv (unitless)
Howard 1989-1993
Howard 1989-1993
Vp value cited in Howard 1989-1993.
Howard 1989-1993
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated by
using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Calculated using the log Km value cited in Howard 1989-1993.
Koc value was calculated by using the correlation equation with Km for phthalates and
PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in this
table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in U.S.
EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended sediment.
Measured organic carbon in suspended sediment, specific to site conditions, should be
used to calculate Kd^, because the value varies, depending on the fraction of organic
carbon in suspended sediment. Recommended Kd^ value was calculated by using the
Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in U.S.
EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be used
to calculate Kdbs, because the value varies, depending on the fraction of organic carbon
in bottom sediment. Recommended Kdbs value was calculated by using the Koc value
that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991) OR Howard (1989-1993) OR
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
86.47
126.6
5.63
at 25C (liquid)
2.90E+03
1.68E-01
9.72E-02
1.13E-05
1.20E+01
9.83E+00
9.83E-02
7.38E-01
3.93E-01
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-8

-------
                                             TABLE A-2-45


                     CHEMICAL-SPECIFIC INPUTS FOR CHLOROETHANE (75-00-3)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Lucius et al. (1992).
S value cited in U.S. EPA (1994a)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value calculated from log Km value cited in U.S. EPA (1995a).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
64.52
441.8
159. 88 at 25C (solid)
5.74E+03
1.80
1.27E-01
1.53E-06
1.26E+03
3.71E+02
3.71E+00
2.78E+01
1.48E+01
6.72E+02
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-81

-------
                                             TABLE A-2-46
                      CHEMICAL-SPECIFIC INPUTS FOR CHLOROFORM (67-66-3)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
&/, (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
119.39
209.6
2.69E-01
at 25C
(liquid)
7.96E+03
4.03E-03
5.17E-02
1.09E-05
8.90E+01
5.30E+01
5.30E-01
3.98E+00
2.12E+00
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-82

-------
                                               TABLE A-2-47


         CHEMICAL-SPECIFIC INPUTS FOR (BIS)-1,2-CHLOROISOPROPYLETHER (39638-32-9)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kdn (L/Kg)
&/,,, (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in Howard (1989 - 1993).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdb, value was calculated by
using the Kac value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Mackay,
Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
171.07
369.9
7.00E-03 at 25C (solid)
1.70E+03
7.04E-04
3.61E-02
7.38E-06
3.80E+02
1.46E+02
1.46E+00
1.09E+01
5.82E+00
1.41E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-83

-------
                                            TABLE A-2-48
               CHEMICAL-SPECIFIC INPUTS FOR 2-CHLORONAPHTHALENE (91-58-7)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdm (L/Kg)
&4(cm3/g)
fag (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Montgomery and Welkom (1991)
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs as cited in U.S. EPA (1994c). Koc value was calculated by using the
recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
162.61
332.6
1.05E-05
at 25C
(solid)
1.20E+01
1.43E-04
3.64E-02
8.24E-06
1.17E+04
7.14E+03
7.14E+01
5.36E+02
2.86E+02
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-84

-------
                      TABLE A-2-49
CHEMICAL-SPECIFIC INPUTS FOR 2-CHLOROPHENOL (95-57-8)
                       (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)

S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
^ (mL/g)












Kds (cmVg)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).

Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).












Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table for a pH of 7.0.
128.56
282.1
2.77E-03
at 25C
(liquid)


2.15E+04
1.66E-05
5.01E-02
9.46E-06
1.45E+02
pH
1
2
3
4
5
6
7
8
9
10
11
12
13
14
Koc
398.0
398.0
398.0
398.0
397.9
396.9
387.3
311.8
108.7
19.43
7.39
6.14
6.01
6.00
3.87E+00
                         A-2-85

-------
                                             TABLE A-2-49
                   CHEMICAL-SPECIFIC INPUTS FOR 2-CHLOROPHENOL (95-57-8)


                                              (Page 2 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties (Continued)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table for a pH of 7.0.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table for a pH of 7.0.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
2.90E+01
1.55E+01
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-86

-------
                                               TABLE A-2-50


           CHEMICAL-SPECIFIC INPUTS FOR 4-CHLOROPHENYL-PHENYLETHER (7005-72-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd. (cm3/g)
^ (L/Kg)
^(cm3/g)
fog (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in Montgomery and Welkom (1991).
S value cited in Montgomery and Welkom (1991).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dv value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koe value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
{{(! value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koc value that is provided
in this table.
Kdts value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be zero due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided
in the table.
204.66
265.1
3.55E-06at25C(liquid)
3.30E+00
2.20E-04
3.82E-02
4.42E-06
5.85E+04
7.40E+03
7.40E+01
5.55E+02
2.96E+02
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-87

-------
                                             TABLE A-2-51
                   CHEMICAL-SPECIFIC INPUTS FOR CHLOROPYRIFOS (2921-88-2)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
fog (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dv value was calculated using the equation cited in U.S. EPA (1996a).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
350.59
314.6
1.32E-03 at 25C (solid)
5.00E+00
9.26E-02
3.82E-02
4.42E-06
1.82E+05
1.79E+04
1.79E+02
1.35E+03
7.18E+02
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-8

-------
                                                TABLE A-2-52


                       CHEMICAL-SPECIFIC INPUTS FOR CHROMIUM (7440-47-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd, (mL/g)
Kd^ (L/Kg)
Kdbs (mL/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was obtained from CHEMDAT8 database in U.S. EPA (1994f).
Devalue was obtained from CHEMDAT8 database in U.S. EPA (1994f).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MINTEQ2 geochemical speciation
model.
Kd^, value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
-
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
52
2,173.1
0.0
0.0
0.0
1.01E-01
4.63E-05
NA
NA
1.2E+03atpH=4.9;
1.8E+06atpH=6.8;
4.3E+06atpH=8.0
1.2E+03atpH=4.9;
1.8E+06atpH=6.8;
4.3E+06atpH=8.0
1.2E+03atpH=4.9;
1.8E+06atpH=6.8;
4.3E+06atpH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-89

-------
                                                TABLE A-2-53


               CHEMICAL-SPECIFIC INPUTS FOR HEXAVALENT CHROMIUM (18540-29-9)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd, (mL/g)
Kd^ (L/Kg)
Kdbs (mL/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
D,, value was calculated using the equation cited in U.S. EPA (1996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MINTEQ2 geochemical speciation
model.
Kd^, value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
-
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
52
2,173.0
0.0
0.0
0.0
1.36E-01
1.58E-05
NA
NA
31atpH=4.9;
19atpH=6.8;
14 at pH=8.0
31 atpH=4.9;
19atpH=6.8;
14 at pH=8.0
31 atpH=4.9;
19atpH=6.8;
14 at pH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-90

-------
                                             TABLE A-2-54
                       CHEMICAL-SPECIFIC INPUTS FOR CHRYSENE (218-01-9)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd, (mL/g)
Kd^ (L/Kg)
r^(mL/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
A, value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, cited in U.S. EPA (1994c). Koc value was calculated by using the
recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kd,
value was calculated by using the Koc value that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kdm, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, ! and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
228.28
527.1
1.03E-11 at 25C (solid)
1.94E-03
1.21E-06
2.48E-02
6.21E-06
5.48E+05
2.97E+05
2.97E+03
2.23E+04
1.19E+04
2.53E-01
0.761
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-91

-------
                                             TABLE A-2-54a


                        CHEMICAL-SPECIFIC INPUTS FOR COPPER (7440-50-8)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
Kd^ (L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the S and Vp values are zero for all metals,
except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dv value was calculated using the equation cited in U.S. EPA (1996a).
-
-
Kds value was obtained from U.S. EPA (1996b), which provides pH-based values
estimated using the MTNTEQ2 geochemical speciation model.
Kd^ value is assumed to be the same as the Kds value, because organic carbon does
not play a major role in sorption for metals, as cited in U.S. EPA (1994f).
Kdbs value is assumed to be the same as the Kds value, because organic carbon does
not play a major role in sorption for metals, as cited in U.S. EPA (1994f).
--
Because metals are nonvolatile (except mercury), they are assumed to be
100 percent in the particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994fj.
63.55
1356.15
0.0
NA
0.0
1.19E-01
1.38E-05
NA
NA
40atpH=4.9
10000 at pH=6.8
28,500 at pH=8.0
40atpH=4.9
10000 at pH=6.8
28,500 at pH=8.0
40atpH=4.9
10000atpH=6.8
28,500 at pH=8.0
NO
0.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-92

-------
                                             TABLE A-2-55


                       CHEMICAL-SPECIFIC INPUTS FOR M-CRESOL (108-39-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Kow value cited in U.S. EPA (1995b)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kd, value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdb,, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
108.13
284.1
1.90E-04
at 25C
(liquid)
2.30E+04
8.93E-07
6.93E-02
9.30E-06
9.10E+01
4.78E+01
4.78E-01
3.58E+00
1.91E+00
8.72E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-93

-------
                                             TABLE A-2-56
                        CHEMICAL-SPECIFIC INPUTS FOR O-CRESOL (95-48-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Vp (atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
108.13
303.1
4.16E-04
at 25C
(solid)
2.77E+04
1.62E-06
6.88E-02
9.41E-06
1.05E+02
5.34E+01
5.34E-01
4.0E+00
2.14E+00
3.61E+01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-94

-------
                                             TABLE A-2-57
                        CHEMICAL-SPECIFIC INPUTS FOR P-CRESOL (106-44-5)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
108.13
308.6
1.70E-04
at 25C
(solid)
2.30E+04
7.99E-07
6.93E-02
9.30E-06
8.70E+01
4.61E+01
4.61E-01
3.46E+00
1.84E+00
3.79E+02
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-95

-------
                                           TABLE A-2-58


            CHEMICAL-SPECIFIC INPUTS FOR CUMENE (ISOPROPYLBENZENE) (98-82-8)


                                            (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S. EPA(1995b)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b)
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koe value was calculated by
using the recommended Km value that is provided in this table.
Kd, value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided
in the table.
120.19
177
6.00E-03
at 25C (liquid)
5.60E+01
1.29E-02
6.50E-02
7.83E-06
4.10E+03
9.31E+02
9.31E+00
6.98E+01
3.72E+01
3.16E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-96

-------
                                              TABLE A-2-59


                         CHEMICAL-SPECIFIC INPUTS FOR CYANIDE (57-12-5)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
U.S.EPA(1992a)
--
Geometric mean value cited in U.S. EPA (1994c).
--
--
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
--
--
--
--
--
Ksg value was assumed to be zero due to a lack of data.
Fv value was assumed to be 1.0 due to a lack of data.
26.017
ND
1.82E-02 at 25C (solid)
ND
ND
5.48E-01
2.10E-05
ND
ND
ND
ND
ND
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-97

-------
                                                 TABLE A-2-60
                           CHEMICAL-SPECIFIC INPUTS FOR 4,4'-DDD (72-54-8)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
320.05
380.1
1.14E-09
at 25C
(solid)
7.33E-02
4.98E-06
1.69E-02
4.76E-06
1.32E+06
4.58E+04
4.58E+02
3.44E+03
1.83E+03
4.34E-02
0.925
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                     A-2-98

-------
                                                 TABLE A-2-61
                           CHEMICAL-SPECIFIC INPUTS FOR 4,4'-DDE (72-55-9)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&C (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
319.03
361.1
7.45E-09
at 25C
(solid)
1.92E-02
1.24E-04
1.70E-02
4.78E-06
1.80E+06
8.64E+04
8.64E+02
6.48E+03
3.46E+03
4.34E-02
0.981
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                     A-2-99

-------
                                                 TABLE A-2-62
                           CHEMICAL-SPECIFIC INPUTS FOR 4,4'-DDT (50-29-3)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&C (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
354.49
381.1
5.17E-10
at 25C
(solid)
3.41E-03
5.37E-05
1.48E-02
4.48E-06
1.17E+06
6.78E+05
6.78E+03
5.08E+04
2.71E+04
4.34E-02
0.852
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                     A-2-100

-------
                                               TABLE A-2-63
                 CHEMICAL-SPECIFIC INPUTS FOR DI-N-BUTYL PHTHALATE (84-74-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
A/ff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
JM,(cm3/g)
^^ (L/Kg)
SUcmVg)
fag (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dw value was obtained from WATERS model database (U.S. EPA 1995d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
278.34
238.1
5.55E-08
at25C
(liquid)
1.08E+01
1.43E-06
4.38E-02
7.86E-06
5.25E+04
1.57E+03
1.57E+01
1.18E+02
6.27E+01
1.11E+01
0.989
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-101

-------
                                               TABLE A-2-64
                 CHEMICAL-SPECIFIC INPUTS FOR DI-N-OCTYLPHTHALATE (117-84-0)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in this table.
390.56
248.1
5.88E-09
at 25C (liquid)
3.00E+00
7.65E-07
1.32E-02
4.20E-06
2.14E+09
9.03E+08
9.03E+06
6.78E+07
3.61E+07
9.03E+00
0.9081
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-102

-------
                                              TABLE A-2-65


                        CHEMICAL-SPECIFIC INPUTS FOR DIAZINON (333-41-5)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Howard (1989-1993)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
-
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
304.36
393.1
1.11E-07
at 25C (solid)
6.88E+01
4.89E-07
1.71E-02
5.24E-06
6.46E+03
1.33E+03
1.33E+01
9.96E+01
5.31E+01
ND
0.999
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-103

-------
                                               TABLE A-2-66


                CHEMICAL-SPECIFIC INPUTS FOR DIBENZ(A,H)ANTHRACENE (53-70-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
*M,(mL/g)
^4, (L/Kg)
4(mL/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values was obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
278.33
539.1
2.70E-14
at25C
(solid)
6.70E-04
1.12E-08
1.80E-02
6.01E-06
3.53E+06
1.79E+06
1.79E+04
1.34E+05
7.16E+04
2.69E-01
0.011
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-104

-------
                                            TABLE A-2-67


           CHEMICAL-SPECIFIC INPUTS FOR l,2-DIBROMO-3-CHLOROPROPANE (96-12-8)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Kow value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
236.36
279.2
l.OE-03
at 25C
(liquid)
1.20E+03
1.97E-04
1.79E-02
8.79E-06
2.19E+02
9.47E+01
9.47E-01
7.10E+00
3.79E+00
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-105

-------
                                             TABLE A-2-68


              CHEMICAL-SPECIFIC INPUTS FOR DIBROMOCHLOROMETHANE (124-48-1)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Montgomery and Weldom (1991).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994g).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdts value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
208.3
252.1
2.00E-02
at 25C (liquid)
3.44E+03
1.21E-03
1.96E-02
1.05E-05
1.50E+02
7.05E+01
7.05E-01
5.29E+00
2.82E+00
1.41E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-106

-------
                                            TABLE A-2-69
                CHEMICAL-SPECIFIC INPUTS FOR 1,2-DICHLOROBENZENE (95-50-1)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991) and Mackay and others (1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
147.01
256.1
1.79E-03
at 25C
(liquid)
1.25E+02
2.11E-03
4.11E-02
8.93E-06
2.79E+03
3.79E+02
3.79E+00
2.84E+01
1.52E+01
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii
                                                A-2-107

-------
                                            TABLE A-2-70
                CHEMICAL-SPECIFIC INPUTS FOR 1,3-DICHLOROBENZENE (541-73-1)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koe value was calculated by
using the recommended Km value that is provided in this table.
Kd, value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard (1989-1993).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
147.01
297.86
3.03E-03
at 25C
(solid)
6.88E+01
1.11E+02
4.14E-02
8.85E-06
3.39E+03
8.03E+02
8.03E+00
6.02E+01
3.21E+01
1.41E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-108

-------
                                            TABLE A-2-71


                CHEMICAL-SPECIFIC INPUTS FOR 1,4-DICHLOROBENZENE (106-46-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd. (cm3/g)
^ (L/Kg)
Kdbs (cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991) and Mackay, Shiu, and Ma
(1992).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
147.01
326.6
1.39E-03
at 25C
(solid)
7.30E+01
2.80E-03
4.14E-02
8.85E-06
2.58E+03
6.16E+02
6.16E+00
4.62E+01
2.46E+01
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-109

-------
                                             TABLE A-2-72
               CHEMICAL-SPECIFIC INPUTS FOR 3,3'-DICHLOROBENZIDINE (91-94-1)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
^^ (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
253.13
405.1
2.89E-10
at 25C
(solid)
3.52E+00
2.08E-08
2.28E-02
5.48E-06
3.76E+03
8.70E+02
8.70E+00
6.52E+01
3.48E+01
1.41E+00
0.847
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-110

-------
                                             TABLE A-2-73


            CHEMICAL-SPECIFIC INPUTS FOR DICHLORODIFLUOROMETHANE (75-71-8)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
120.92
115.1
6.40E+00
at 25C
(liquid)
3.0E+02
2.58E+00
7.77E-02
9.00E-06
1.44E+02
6.85E+0
6.85E-01
5.14E+00
2.74E+00
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-111

-------
                                             TABLE A-2-74
                 CHEMICAL-SPECIFIC INPUTS FOR 1,1-DICHLOROETHANE (75-34-3)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
98.97
175.1
3.0E-01
at 25C
(liquid)
5.16E+03
5.75E-03
7.42E-02
1.05E-05
6.20E+01
5.30E+01
5.30E-01
3.98E+00
2.12E+00
1.643
1.0
Note:
NA = Not applicable
ND = No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-112

-------
                                             TABLE A-2-75
                 CHEMICAL-SPECIFIC INPUTS FOR 1,2-DICHLOROETHANE (107-06-2)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
98.96
233.1
1.07E-01
at 25C (liquid)
8.31E+03
1.27E-03
7.19E-02
1.10E-05
2.90E+01
1.96E+01
1.96E-01
1.47E+00
7.83E-01
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-113

-------
                                               TABLE A-2-76
                 CHEMICAL-SPECIFIC INPUTS FOR 1,1-DICHLOROETHYLENE (75-35-4)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
96.95
150.6
7.88E-01
at 25C
(liquid)
3.0E+03
2.55E-02
7.53E-02
1.09E-05
1.32E+02
6.50E+01
6.50E-01
4.88E+00
2.60E+00
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-114

-------
                                                TABLE A-2-77


             CHEMICAL-SPECIFIC INPUTS FOR (CIS)-1,2-DICHLOROETHYLENE (156-59-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
&/ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Howard (1989-1993)
Howard (1989-1993)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koe value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdts, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value ofFv was calculated by using the Vp value that is provided
in the table.
96.94
192.6
2.30E-01
at 25C (liquid)
4.94E+03
4.51E-03
7.36E-02
1.13E-05
9.60E+01
4.98E+01
4.98E-01
3.73+00
1.99E+00
1.41E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-115

-------
                                               TABLE A-2-78


           CHEMICAL-SPECIFIC INPUTS FOR (TRANS)-1,2-DICHLOROETHYLENE (156-60-5)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dw value was obtained from WATERS model database (U.S. EPA 1995d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
96.95
223.7
4.63E-01
at 25C
(liquid)
6.03E+03
7.44E-03
8.16E-02
9.75E-06
9.60E+01
3.80E+01
3.80E-01
2.85E+00
1.52E+00
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-116

-------
                        TABLE A-2-79
CHEMICAL-SPECIFIC INPUTS FOR 2,4-DICHLOROPHENOL (120-83-2)
                         (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
JM,(cm3/g)
Kd^ (L/Kg)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
163.01
318.1
7.21E-06
at25C
(solid)
4.93E+03
2.38E-07
2.69E-02
7.79E-06
1.09E+03
pH
2
3
4
5
6
7
8
9
10
11
12
13
14
Koc
159.0
159.0
159.0
159.0
158.8
156.8
139.6
67.31
12.75
3.50
2.51
2.41
2.40
2.40
1.40E+00
1.05E+01
                            A-2-117

-------
                                             TABLE A-2-79
                 CHEMICAL-SPECIFIC INPUTS FOR 2,4-DICHLOROPHENOL (120-83-2)

                                              (Page 2 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties (Continued)
4(cm3/g)
ksg (year)'1
Fv (unitless)
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
5.58E+00
3.61E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-118

-------
                                             TABLE A-2-80
                 CHEMICAL-SPECIFIC INPUTS FOR 1,2-DICHLOROPROPANE (78-87-5)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
112.99
172.7
6.66E-02
at25C
(liquid)
2.68E+03
2.81E-03
6.21E-02
9.71E-06
1.78E+02
4.70E+01
4.70E-01
3.53E+00
1.88E+00
1.96E-01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-119

-------
                                            TABLE A-2-81


             CHEMICAL-SPECIFIC INPUTS FOR (CIS)-1,3-DICHLOROPROPENE (542-75-6)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
110.98
189.1
4.11E-02
at25C
(liquid)
1.55E+03
2.94E-03
6.26E-02
l.OOE-05
5.60E+01
2.70E+01
2.70E-01
2.03E+00
1.08E+00
2.24E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-120

-------
                                              TABLE A-2-82


                       CHEMICAL-SPECIFIC INPUTS FOR DICHLORVOS (62-73-7)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
--
Vp value cited in Howard (1989-1993).
5 value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
!) value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard
(1989-1993).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
220.98
NA
6.93E-05
at 25C (liquid)
1.6E+04
9.57E-07
2.32E-02
7.33E-06
2.69E+01
1.85E+01
1.85E-01
1.38E+00
7.38E-01
1.49E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-121

-------
                                               TABLE A-2-83
                          CHEMICAL-SPECIFIC INPUTS FOR DIELDRIN (60-57-1)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
380.93
449.1
1.31E-09
at25C
(solid)
1.87E-01
2.66E-06
1.36E-02
4.29E-06
1.86E+05
2.55E+04
2.55E+02
1.91E+03
1.02E+03
2.34E+00
0.9860
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-122

-------
                                               TABLE A-2-84
                  CHEMICAL-SPECIFIC INPUTS FOR DIETHYL PHTHALATE (84-66-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
A/ff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
JM,(cm3/g)
Kd^ (L/Kg)
SUcmVg)
fag (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Km that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the K^ value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with K^. that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the K^. value that is provided in this table.
Kdbs value was calculated by using the correlation equation with K^. that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
222.24
232.6
2.17E-06
at25C
(liquid)
8.80E+02
5.48E-07
2.56E-02
6.35E-06
2.73E+04
8.20E+01
8.20E-01
6.15E+00
3.28E+00
4.52E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-123

-------
                                               TABLE A-2-85


                 CHEMICAL-SPECIFIC INPUTS FOR DIMETHYL PHTHALATE (131-11-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koe value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdts, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided
in the table.
194.19
273.1
2.17E-06
at 25C (liquid)
4.19E+03
1.01E-07
2.96E-02
7.13E-06
4.30E+01
3.09E+01
3.09E-01
2.00E+01
1.06E+01
3.61E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-124

-------
                          TABLE A-2-86
CHEMICAL-SPECIFIC INPUTS FOR 2,4-DIMETHYLPHENOL (105-67-9)




                           (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (cm'/g)
^CCL/Kg)
Moses (1978)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1992a).
S value cited in U.S. EPA (1992a).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
122.17
300.1
1.66E-04
at 25C
(solid)
6.25E+03
3.24E-06
5.84E-02
8.69E-06
2.29E+02
pH
1
2
3
4
5
6
7
8
9
10
11
12
13
14 1.91
Koc
126.0
126.0
126.0
126.0
126.0
125.99
125.9
125.02
116.87
71.06
15.77
3.43
2.05
1.26E+00
9.44E+00
                             A-2-125

-------
                                               TABLE A-2-86
                  CHEMICAL-SPECIFIC INPUTS FOR 2,4-DIMETHYLPHENOL (105-67-9)


                                                 (Page 2 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties (Continued)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
5.04E+00
3.61E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-126

-------
                                               TABLE A-2-87


              CHEMICAL-SPECIFIC INPUTS FOR 3,3'-DIMETHYOXYBENZIDINE (119-90-4)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dw value was obtained from WATERS model database (U.S. EPA 1995d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
244.28
410.1
3.30E-10
at 25C
(solid)
2.40E+02
3.36E-10
2.38E-02
5.60E-06
6.46E+01
3.65E+01
3.65E-01
2.74E+00
1.46E+00
1.41E+00
0.877
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-127

-------
                                               TABLE A-2-88
                   CHEMICAL-SPECIFIC INPUTS FOR 1,3-DINITROBENZENE (99-65-0)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (mL/g)
T^(L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (19941).
Geometric mean value cited in U.S. EPA (19941).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (19941).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, as cited in U.S.
EPA (1994c). Koc value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
168.11
363
4.0E-07
at25C
(solid)
5.4E+02
1.25E-07
3.18E-02
9.15E-06
3.10E+01
2.06E+01
2.06E-01
1.55E+00
8.25E-01
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-128

-------
                         TABLE A-2-89
CHEMICAL-SPECIFIC INPUTS FOR 2,4-DINITROPHENOL (51-28-5)
                          (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)


Da(cm2/s)
Dw (cm2/s)
^ (unitless)
 (mL/g)














^(cmVg)




&C(L/Kg)





&4(cm3/g)





Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).













Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value calculated using the Koc value that is provided in this table for a pH of 7.0.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table for a pH of 7.0.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table for a pH of 7.0.
184.11
385.1
1.52E-07 at 25C (solid)
5.8E+03
4.82E-09
2.73E-02
9.06E-06
3.30E+01
pH
1
2
3
4
5
6
7
8
9
10
11
12
13
14
l.OE-04
(atpH7.0)



7.5E-04
(atpH7.0)




4.0E-04
(atpH7.0)




K
0.80
0.79
0.72
0.38
0.08
0.02
0.01
0.01
0.01
0.01
0.01
0.01
0.01
0.01

















                            A-2-129

-------
                                                TABLE A-2-89


                    CHEMICAL-SPECIFIC INPUTS FOR 2,4-DINITROPHENOL (51-28-5)


                                                 (Page 2 of 2)
Parameter
ksg (year)'1
Fv (unitless)
Reference and Explanation
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
Value
9.62E-01
0.999
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-130

-------
                                                TABLE A-2-90


                  CHEMICAL-SPECIFIC INPUTS FOR 2,4-DINITROTOLUENE (121-14-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mL/g)
Kd^ (L/Kg)
Kdbs(mUg)
ksg (year)'1
Fv (unitless)
Howard (1989-1993)
Howard (1989-1993)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using tbeMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
!) value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, as cited in U.S.
EPA (1994c). Koc value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
182.14
344
2.29E-07
at 25C
(solid)
2.85E+02
1.46E-07
3.09E-02
7.86E-06
9.90E+01
5.10E+01
5.10E-01
3.83E+00
2.04E+00
1.41E+00
0.999
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-131

-------
                                                TABLE A-2-91
                   CHEMICAL-SPECIFIC INPUTS FOR 2,6-DINITROTOLUENE (606-20-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (mL/g)
T^(L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Howard (1989-1993)
Howard (1989-1993)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
182.15
339
7.47E-07
at25C
(solid)
1.05E+03
1.30E-07
3.11E-02
7.76E-06
7.70E+01
4.19E+01
4.19E-01
3.14E+00
1.68E+00
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-132

-------
                                              TABLE A-2-92
                       CHEMICAL-SPECIFIC INPUTS FOR 1,4-DIOXANE (123-91-1)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
88.10
284.9
5.00E-02
at25C
(liquid)
9.00E+05
4.89E-06
9.20E-02
1.05E-05
5.40E-01
8.76E-01
8.76E-03
6.57E-02
3.50E-02
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-133

-------
                                               TABLE A-2-93


                CHEMICAL-SPECIFIC INPUTS FOR 1,2-DIPHENYLHYDRAZINE (122-66-7)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Montgomery and Welkom (1991)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
184.24
401.1
4.74E-08
at25C
(solid)
6.80E+01
1.28E-07
2.95E-02
7.24E-06
8.71E+02
2.78E+02
2.78E+00
2.09E+01
1.11E+01
1.41E+00
0.999
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-134

-------
                                             TABLE A-2-94
                      CHEMICAL-SPECIFIC INPUTS FOR DISULFOTON (298-04-4)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Tm value cited in U.S. EPA (1995b).
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction oF 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
274.38
248
3.7E-07
at25C
(liquid)
1.6E+01
4.12E-06
4.50E-02
5.21E-06
9.55E+03
1.80E+03
1.80E+01
1.35E+02
7.20E+01
1.20E+01
0.998
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-135

-------
                                             TABLE A-2-95
                     CHEMICAL-SPECIFIC INPUTS FOR ENDOSULFAN I (115-29-7)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckehnan (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
406.95
343.1
1.31E-08
at25C
(solid)
2.31E-01
2.31E-05
9.59E-03
5.76E-06
3.02E+03
2.04E+03
2.04E+01
1.53E+02
8.16E+01
2.78E+01
0.9839
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-136

-------
                                              TABLE A-2-96


                          CHEMICAL-SPECIFIC INPUTS FOR ENDRIN (72-20-8)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
^(cmVg)
^4, (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S.EPA(1992a)
Vp value cited in U.S. EPA (1992a)
S value cited in U.S. EPA (1992a)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
--
380.93
473.1
7.68E-10
at25C
(solid)
2.46E-01
1.19E-06
1.07E-02
5.76E-06
7.79E+04
1.08E+04
1.08E+02
8.11E+02
4.32E+02
3.61E+04
ND
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-137

-------
                                             TABLE A-2-97


                  CHEMICAL-SPECIFIC INPUTS FOR EPICHLOROHYDRIN (106-89-8)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
^(cm3/g)
Kdm (L/Kg)
Sfa(cm3/g)
fesg (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in U.S. EPA
(1994c). Koc value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
92.53
247.5
2.20E-02
at 25C
(liquid)
6.60E+04
3.08E-05
8.13E-02
1.10E-05
1.78E+00
2.22E+00
2.22E-02
1.66E-01
8.88E-02
9.03E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-138

-------
                                               TABLE A-2-98


                 CHEMICAL-SPECIFIC INPUTS FOR ETHYL METHACRYLATE (97-63-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
Fv (unitless)
MW value cited in U.S. EPA (1995b)
--
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value cited in NC DEHNR (1997).
114.14
NA
2.30E-02
at 25C
1.90E+04
1.38E-04
8.07E-02
9.35E-06
3.89E+01
2.46E+01
2.46E-01
1.85E+00
9.80E-01
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-139

-------
                                               TABLE A-2-99
              CHEMICAL-SPECIFIC INPUTS FOR ETHYL METHANESULFONATE (62-50-0)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
r^(cm3/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Devalue was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table for a pH of 7.0.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdb,, because the value varies depending on the fraction of organic
carbon in bottom sediment. Recommended Kdts value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
124.15
373.0
3.50E-04at25C(solid)
4.90E+05
8.87E-08
7.63E-02
8.84E-06
1.12E+00
1.55E+00
1.55E-02
1.16E-01
6.19E-02
7.88E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-140

-------
                                              TABLE A-2-100
                     CHEMICAL-SPECIFIC INPUTS FOR ETHYLBENZENE (100-41-4)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991) and Mackay, Shiu, and Ma
(1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
106.16
178.1
1.26E-02
at 25C (liquid)
1.73E+02
7.73E-03
7.65E-02
8.49E-06
1.33E+03
2.04E+02
2.04E+00
1.53E+01
8.16E+00
2.53E+01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-141

-------
                                              TABLE A-2-101


                CHEMICAL-SPECIFIC INPUTS FOR ETHYLENE DIBROMIDE (106-93-4)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
ksg (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdb,, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
187.88
282.1
l.OOE-02
at 25C
(liquid)
4.20E+03
4.47E-04
2.17E-02
1.19E-05
5.62E+01
3.28E+01
3.28E-01
2.46E+00
1.31E+00
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-142

-------
                                               TABLE A-2-102
                     CHEMICAL-SPECIFIC INPUTS FOR ETHYLENE OXIDE (75-21-8)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
&/, (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Verschueren(1983)
S value cited in NC DEHNR (1996).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Howard (1989-1993)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Kx that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
44.05
162.1
1.44E+00 at 25 C (liquid)
3.80E+05
1.67E-04
2.71E-01
1.44E-05
5.01E-01
8.26E-01
8.26E-03
6.19E-02
3.30E-02
2.13E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-143

-------
                                              TABLE A-2-103


            CHEMICAL-SPECIFIC INPUTS FOR BIS(2-ETHYLHEXYL)PHTHALATE (117-81-7)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1994c).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
390.54
218.1
8.49E-09
at 25C (liquid)
3.96E-01
8.37E-06
1.32E-02
4.22E-06
1.60E+05
1.11E+05
1.11E+03
8.33E+03
4.44E+03
1.10E+01
0.9350
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-144

-------
                                            TABLE A-2-104
                    CHEMICAL-SPECIFIC INPUTS FOR FLUORANTHENE (206-44-0)

                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Mackay,
Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
202.26
383.1
1.07E-08
at25C
(solid)
2.32E-01
9.33E-06
2.75E-02
7.18E-06
1.21E+05
4.91E+04
4.91E+02
3.68E+03
1.96E+03
5.75E-01
0.992
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-145

-------
                                             TABLE A-2-105
                        CHEMICAL-SPECIFIC INPUTS FOR FLUORENE (86-73-7)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Km value cited in U.S. EPA (1995b)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction oF 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
166.22
389.1
8.17E-07
at25C
(solid)
1.86E+00
7.30E-05
3.63E-02
7.88E-06
1.47E+04
7.71E+03
7.71E+01
5.78E+02
3.08E+02
4.22E+00
0.9999
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-146

-------
                                                TABLE A-2-106


                      CHEMICAL-SPECIFIC INPUTS FOR FORMALDEHYDE (50-00-0)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
^(cm3/g)
Kdm (L/Kg)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1994c)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Km value cited in U.S. EPA (1995b)
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
30.03
365.1
5.10E+00
at 25C
(solid)
5.50E+05
2.78E-04
5.00E-01
1.74E-05
2.20E+00
2.62E+00
2.62E-02
1.96E-01
1.05E-01
3.61E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-147

-------
                                             TABLE A-2-107


                      CHEMICAL-SPECIFIC INPUTS FOR FORMIC ACID (64-18-6)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
U.S. EPA(1995b)
U.S. EPA(1995b)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
!) value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b)
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided
in the table.
46.03
282.0
5.40E-02
at 25C (liquid)
l.OOE+06
2.49E-06
2.22E-01
1.71E-05
2.90E-01
5.39E-01
5.39E-03
4.04E-02
2.16E-02
3.61E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-148

-------
                                            TABLE A-2-108


                                 CHEMICAL-SPECIFIC INPUTS FOR
                      1,2,3,4,6,7,8-HEPTACHLORODIBENZO(P)DIOXIN (35822-46-9)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
425.31
537.1
4.22E-14 at 25C (solid)
2.40E-06
7.50E-06
1.11E-02
3.89E-06
1.58E+08
9.77E+07
9.77E+05
7.33E+06
3.91E+06
1.09E-01
1.62E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-149

-------
                                            TABLE A-2-109


                                  CHEMICAL-SPECIFIC INPUTS FOR
                      1,2,3,4,6,7,8-HEPTACHLORODIBENZO(P)FURAN (67562-39-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kdm, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
409.31
509.1
1.75E-13at25C(solid)
1.35E-06
5.30E-05
1.55E-02
3.99E-06
8.32E+07
5.13E+07
5.13E+05
3.85E+06
2.05E+06
3.57E-01
3.47E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-150

-------
                                            TABLE A-2-110


                                 CHEMICAL-SPECIFIC INPUTS FOR
                      1,2,3,4,7,8,9-HEPTACHLORODIBENZO(P)FURAN (55673-89-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
A/ff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue group average value obtained from U.S. EPA (1992d).
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated using the chemical half-life in soil, as cited in Mackay,
Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
409.31
494.1
1.41E-13 at 25C (solid)
1.40E-06
5.30E-05
1.55E-02
3.99E-06
8.32E+07
5.13E+07
5.13E+05
3.85E+06
2.05E+06
3.57E-01
2.01E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-151

-------
                                             TABLE A-2-111
                      CHEMICAL-SPECIFIC INPUTS FOR HEPTACHLOR (76-44-8)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
&/, (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard
(1989-1993).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
373.35
368.1
4.29E-07 at 25C (solid)
2.73E+01
5.87E-06
1.12E-02
5.69E-06
1.04E+05
9.53E+03
9.53E+01
7.15E+02
3.81E+02
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-152

-------
                                              TABLE A-2-112


                 CHEMICAL-SPECIFIC INPUTS FOR HEPTACHLOR EPOXIDE (1024-57-3)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
389.32
430.1
5.71E-09
at 25C
(solid)
2.68E-01
8.29E-06
1.32E-02
4.23E-06
5.62E+04
7.18E+03
7.18E+01
5.38E+02
2.87E+02
4.58E-01
0.9948
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-153

-------
                                            TABLE A-2-113


                                  CHEMICAL-SPECIFIC INPUTS FOR
                       1,2,3,4,7,8-HEXACHLORODIBENZO(P)DIOXIN (39227-28-6)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a; 1994c). Recommended value was
calculated by using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
390.87
546.1
1.33E-13
at 25C
(solid)
4.40E-06
1.20E-05
1.15E-02
4.12E-06
6.17E+07
3.80E+07
3.80E+05
2.85E+06
1.52E+06
1.09E-01
5.96E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-154

-------
                                            TABLE A-2-114


                                  CHEMICAL-SPECIFIC INPUTS FOR
                       1,2,3,6,7,8-HEXACHLORODIBENZO(P)DIOXIN (57653-85-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDD.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue group average value obtained from U.S. EPA (1992d).
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kdm, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value assumed to be the same as the ksg value calculated for 1,2,3,4,7,8-
HexaCDD. ksg value was calculated by using the chemical half-life in soil, as
cited in Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
390.87
558.1
4.74E-14 at 25C (solid)
4.40E-06
1.20E-05
1.15E-02
4.12E-06
1.78E+07
1.10E+07
1.10E+05
8.22E+05
4.39E+05
1.09E-01
2.89E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-155

-------
                                            TABLE A-2-115


                                  CHEMICAL-SPECIFIC INPUTS FOR
                       1,2,3,7,8,9-HEXACHLORODIBENZO(P)DIOXIN (19408-74-3)


                                              (Page 1 of 1)
Parameter

MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
&4(cm3/g)
fag (year)"1

.Fv (unitless)
Reference and Explanation
Chemical/Physical Properties
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S.EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue group average value obtained from U.S. EPA (1994a).
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a; 1994c). Recommended value was
calculated by using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kdm value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was assumed to be the same as the ksg value for 1, 2,3,4 ,7,8-HexaCDD.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
Value

390.87
516.1
6.45E-14 at 25C (solid)
4.40E-06
1.20E-05
1.15E-02
4.12E-06
1.78E+07
1.10E+07
1.10E+05
8.22E+05
4.39E+05
1.09E-01

1.53E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-156

-------
                                             TABLE A-2-116


                                  CHEMICAL-SPECIFIC INPUTS FOR
                        1,2,3,4,7,8-HEXACHLORODIBENZO(P)FURAN (70648-26-9)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue group average value obtained from U.S. EPA (1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kdm, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
374.87
498.6
3.16E-13at25C(solid)
8.25E-06
1.40E-05
1.62E-02
4.23E-06
1.78E+07
1.10E+07
1.10E+05
8.22E+05
4.39E+05
0.0
4.86E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-157

-------
                                             TABLE A-2-117
                                  CHEMICAL-SPECIFIC INPUTS FOR
                        1,2,3,6,7,8-HEXACHLORODIBENZO(P)FURAN (57117-44-9)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue groupaverage value obtained from U.S. EPA (1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kdm, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
374.87
505.1
2.89E-13at25C(solid)
1.77E-05
6.10E-06
1.62E-02
4.23E-06
1.78E+07
1.10E+07
1.10E+05
8.22E+05
4.39E+05
0.0
5.15E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-158

-------
                                             TABLE A-2-118


                                  CHEMICAL-SPECIFIC INPUTS FOR
                        1,2,3,7,8,9-HEXACHLORODIBENZO(P)FURAN (72918-21-9)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
A/ff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue group average value obtained from U.S. EPA (1992d).
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
374.87
519.1
2.37E-13
at25C
(solid)
1.30E-05
l.OOE-05
1.62E-02
4.23E-06
1.78E+07
1.10E+07
1.10E+05
8.22E+05
4.39E+05
0.0
0.5759
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-159

-------
                                             TABLE A-2-119
                                  CHEMICAL-SPECIFIC INPUTS FOR
                       2,3,4,6,7,8-HEXACHLORODIBENZO(P)FURAN (60851-34-5)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdm (L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Homologue group average value obtained from U.S. EPA (1992d).
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
374.87
512.1
2.63E-13
at 25C
(solid)
1.30E-05
l.OOE-05
1.62E-02
4.23E-06
1.78E+07
1.10E+07
1.10E+05
8.22E+05
4.39E+05
0.0
5.47E-02
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-160

-------
                                           TABLE A-2-120


                 CHEMICAL-SPECIFIC INPUTS FOR HEXACHLORO-1,3-BUTADIENE
                                 (PERCHLOROBUTADIENE) (87-68-3)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdm (L/Kg)
&4(cm3/g)
fag (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
260.76
252.1
2.33E-04
at 25C
(liquid)
2.54E+00
2.39E-02
1.73E-02
7.33E-06
5.38E+04
6.94E+03
6.94E+01
5.20E+02
2.77E+02
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-161

-------
                                           TABLE A-2-121
                CHEMICAL-SPECIFIC INPUTS FOR HEXACHLOROBENZENE (118-74-1)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd, (mL/g)
^ (L/Kg)
&k(mL/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, andHeckelman (1989)
Budavari, O'Neil, Smith, andHeckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
A, value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdts value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdb, value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value ofFv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
284.8
504.1
1.62E-08
at 25C
(solid)
8.62E-03
5.35E-04
1.41E-02
7.84E-06
3.18E+05
8.00E+04
8.00E+02
6.00E+03
3.20E+03
1.21E-01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-162

-------
                                           TABLE A-2-122


           CHEMICAL-SPECIFIC INPUTS FOR HEXACHLOROCYCLOPENTADIENE (77-47-4)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
272.77
264.1
9.63E-05
at 25C
(liquid)
1.53E+00
1.72E-02
1.61E-02
7.21E-06
8.07E+04
9.51E+03
9.51E+01
7.13E+2
3.80E+02
9.03E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-163

-------
                                             TABLE A-2-123


                 CHEMICAL-SPECIFIC INPUTS FOR HEXACHLOROETHANE (67-72-1)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, Heckelman (1989)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
236.74
459.7
6.21E-04
at 25C
(solid)
4.08E+01
3.60E-03
1.77E-02
8.88E-06
9.66E+03
1.82E+03
1.82E+01
1.36E+01
7.27E+01
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-164

-------
                                            TABLE A-2-124


                  CHEMICAL-SPECIFIC INPUTS FOR HEXACHLOROPHENE (70-30-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith and Heckleman (1989)
Budavari, O'Neil, Smith and Heckleman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
406.92
437.1
3.60E-15
at 25C
(solid)
3.0E-03
4.88E-10
3.46E-02
4.01E-06
3.47E+07
1.08E+06
1.08E+04
8.08E+04
4.31E+04
7.71E-01
1.4E-04
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-165

-------
                                            TABLE A-2-125


                CHEMICAL-SPECIFIC INPUTS FOR HYDROGEN CHLORIDE (7647-01-0)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd, (mL/g)
Kd^ (L/Kg)
Kdbs(mL/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S. EPA(1994b)
--
--
Da value was calculated using the equation cited in U.S. EPA (1996a).
D,, value was calculated using the equation cited in U.S. EPA (1996a).
--
--
--
--
--
--
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is
provided in this table.
36.47
158.9
4.6E+01
(liquid)
ND
ND
1.73E-01
2.00E-05
NA
NA
ND
ND
ND
ND
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-166

-------
                                               TABLE A-2-126


                 CHEMICAL-SPECIFIC INPUTS FOR INDENO(1,2,3-CD)PYRENE (193-39-5)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (mL/g)
&/ (L/Kg)
^^(mL/g)
ksg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from WATERS model database U.S. EPA (1995d)
Dw value was obtained from WATERS model database U.S. EPA (1995d)
Geometric mean value cited in U.S. EPA (1994c)
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, cited in U.S. EPA (1994c). Koc value was calculated by using the
recommended Km value that is provided in this table.
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
276.34
435
1.88E-13
at 25C
(solid)
1.07E-02
4.86E-09
1.90E-02
5.66E-06
8.22E+06
4.11E+06
4.11E+04
3.08E+05
1.64E+05
3.47E-01
0.007
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-167

-------
                                             TABLE A-2-127


                      CHEMICAL-SPECIFIC INPUTS FOR ISOPHORONE (78-59-1)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in the table.
138.21
265.1
5.38E-04
at 25C (liquid)
1.20E+04
6.20E-06
5.22E-02
7.50E-06
5.00E+01
2.99E+01
2.99E-01
2.25E+00
1.20E+00
9.03E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-168

-------
                                                TABLE A-2-128


                           CHEMICAL-SPECIFIC INPUTS FOR LEAD (7439-92-1)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd, (mL/g)
Kdn (L/Kg)
Kdbs(mL/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
D,, value was calculated using the equation cited in U.S. EPA (1996a).
--
--
Kds value was obtained from Baes, Sharp, Sjoreen, and Shor (1984), which
states that several factors, such as experimental methods and soil type, could
influence partitioning or Kd, values. Baes, Sharp, Sjoreen, and Shor (1984)
compares values between various literature sources and provide this value,
which is based on its best judgment.
Kdm value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
207.2
600.5
0.0
0.0
0.0
5.43E-02
6.28E-06
NA
NA
9.00E+02
9.00E+02
9.00E+02
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-169

-------
                                            TABLE A-2-129
                     CHEMICAL-SPECIFIC INPUTS FOR MALATHIONE (121-75-5)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in the table.
330.36
276
1.04E-08
at 25C
(liquid)
1.43E+02
2.40E-08
1.47E-02
5.29E-06
2.29E+02
9.81E+01
9.81E-01
7.36E+00
3.92E+00
3.61E+01
0.946
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-170

-------
                                             TABLE A-2-130


                CHEMICAL-SPECIFIC INPUTS FOR MERCURIC CHLORIDE (7487-94-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
^CK)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd, (mL/g)
Kdn (L/Kg)
J&UmL/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S. EPA(1996a)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S. EPA(1997g)
Da value was calculated using the equation cited in U.S. EPA (1997g).
D,, value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1996a)
--
U.S. EPA(1997g)
U.S. EPA(1997g)
U.S. EPA(1997g)
U.S. EPA(1996a)
Estimated based on discussions concerning divalent mercury provided in
U.S. EPA(1996a).
271.52
550.1
1.20E-04
6.90E+04
7.1E-10
4.53E-02
5.25E-06
6.10E-01
NA
5.80E+04
l.OOE+05
5.00E+04
0.0
0.85
Note:
NA = Not Applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-171

-------
                                                TABLE A-2-131


                         CHEMICAL-SPECIFIC INPUTS FOR MERCURY (7439-97-6)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kd, (mL/g)
Kd^ (L/Kg)
Kdbs(mL/g)
ksg (yr)-1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
U.S. EPA(1997g)
Da value was obtained from CHEMDAT8 database in U.S. EPA (1994d).
CHEMDAT8 uses correlations with density and molecular weight to calculate
Da values. A density value of 13.546 g/cc for mercury was used.
Dw value was obtained from CHEMDAT8 database in U.S. EPA (1994d).
CHEMDAT8 uses correlations with density and molecular weight to calculate
D,, values. A density value of 13.546 g/cc for mercury was used.
--
-
U.S.EPA(1997g)
U.S.EPA(1997g)
U.S.EPA(1997g)
U.S. EPA(1996a)
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is
provided in this table.
200.59
234.23
2.63E-06
at 25C
5.62E-02
7.1E-03
1.09E-02
3.01E-05
NA
NA
l.OOE+03
l.OOE+03
3.00E+03
0.0
1.0
Note:
NA = Not available
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-172

-------
                                               TABLE A-2-132


                  CHEMICAL-SPECIFIC INPUTS FOR METHACRYLONITRILE (126-98-7)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to be zero due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in this table.
67.09
237.3
8.90E-02
at 25C
(liquid)
2.50E+04
2.39E-04
1.15E-01
1.33E-05
3.47E+00
3.74E+00
3.74E-02
2.80E-01
1.49E-01
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-173

-------
                                             TABLE A-2-133
                        CHEMICAL-SPECIFIC INPUTS FOR METHANOL (67-56-1)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Montgomery and Welkom (1991)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
32.04
175.3
1.30E-01
at 25C (liquid)
2.90E+04
1.44E-04
4.58E-01
1.64E-05
1.95E-01
3.96E-01
3.96E-03
2.97E-02
1.58E-02
3.61E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-174

-------
                                                TABLE A-2-134
                     CHEMICAL-SPECIFIC INPUTS FOR METHOXYCHLOR (72-43-5)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&C (L/Kg)
r^(cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
345.65
351.1
1.62E-09
at 25C
(solid)
8.84E-02
6.33E-06
1.30E-02
5.59E-06
3.36E+04
8.00E+04
8.00E+02
6.00E+03
3.20E+03
6.93E-01
0.901
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                     A-2-175

-------
                                               TABLE A-2-135


                     CHEMICAL-SPECIFIC INPUTS FOR METHYL ACETATE (79-20-9)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value assumed to be 0 due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
74.08
175.1
2.84E-01
at 25C
(liquid)
2.44E+05
8.64E-05
1.23E-01
1.10E-05
2.90E+00
3.25E+00
3.25E-02
2.44E-01
1.30E-01
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-176

-------
                                               TABLE A-2-136
                    CHEMICAL-SPECIFIC INPUTS FOR METHYL BROMIDE (74-83-9)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
94.95
179.44
2.16E+00
at 25C
(liquid)
1.45E+04
1.41E-02
7.28E-02
1.21E-05
1.30E+01
9.00E+00
9.00E-02
6.75E-01
3.60E-01
9.03E+00
1.0
Note
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-177

-------
                                               TABLE A-2-137
                    CHEMICAL-SPECIFIC INPUTS FOR METHYL CHLORIDE (74-87-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&C (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boehling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
50.49
176.1
5.68E+00
at 25C
(liquid)
6.34E+03
4.52E-02
2.13E-01
1.39E-05
8.00E+00
6.00E+00
6.00E-02
4.50E-01
2.40E-01
9.03E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-178

-------
                                               TABLE A-2-138


                 CHEMICAL-SPECIFIC INPUTS FOR METHYL ETHYL KETONE (78-93-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Km (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
ksg (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kd,,
because the value varies, depending on the fraction of organic carbon in soil. Kd,
value was calculated by using the Koc value that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdb, value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
72.10
187.1
1.20E-01 at 25C (liquid)
2.40E+05
3.61E-05
1.35E-01
1.03E-05
1.91E+00
2.34E+00
2.34E-02
1.76E-01
9.36E-02
3.61E+01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-179

-------
                                              TABLE A-2-139


              CHEMICAL-SPECIFIC INPUTS FOR METHYL ISOBUTYL KETONE (108-10-1)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in this table.
100.16
188.4
2.50E-02
at 25C
(liquid)
2.00E+04
1.25E-04
8.59E-02
8.36E-06
1.55E+01
1.20E+01
1.20E-01
9.00E-01
4.80E-01
3.61E+01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-180

-------
                                               TABLE A-2-140


                  CHEMICAL-SPECIFIC INPUTS FOR METHYL MERCURY (22967-92-6)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW (g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd, (mL/g)
Kdn (L/Kg)
Kdbs (mL/g)
ksg (year)'1
Fv (unitless)
U.S. EPA(1997g)
--
--
--
U.S. EPA(1997g)
Da value was calculated using the equation cited in U.S. EPA (1997g).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
--
--
U.S. EPA(1997g)
U.S. EPA(1997g)
U.S. EPA(1997g)
U.S. EPA(1996a)
Based on discussions provided in U.S. EPA (1996a), methyl mercury does not
exist in the air/vapor phase.
216.0
ND
ND
ND
4.7E-07
5.28E-02
6.11E-06
ND
ND
7.00E+03
l.OOE+05
3.00E+03
0.0
0.0
Note:
NA = Not Applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-181

-------
                                               TABLE A-2-141


                  CHEMICAL-SPECIFIC INPUTS FOR METHYL PARATHION (298-00-0)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1992a).
S value cited in U.S. EPA (1992a).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
263.23
310.1
1.30E-08
at 25C
(solid)
5.00E+01
6.84E-08
1.87E-02
6.43E-06
7.20E+02
2.40E+02
2.40E+00
1.80E+01
9.59E+00
7.03E-01
0.966
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-182

-------
                                               TABLE A-2-142
                  CHEMICAL-SPECIFIC INPUTS FOR METHYLENE BROMIDE (74-95-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdb, value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
173.86
220.4
2.20E+00
at 25C
(liquid)
1.45E+04
2.64E-02
6.10E-02
7.06E-06
4.17E+01
2.60E+01
2.60E-01
1.95E+00
1.04E+00
9.03E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-183

-------
                                               TABLE A-2-143
                 CHEMICAL-SPECIFIC INPUTS FOR METHYLENE CHLORIDE (75-09-2)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Dv value was obtained from CHEMDAT8 database U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
84.94
178.1
4.87E-01
at 25C
(liquid)
1.74E+04
2.38E-03
8.69E-02
1.25E-05
1.80E+01
l.OOE+01
l.OOE-01
7.50E-01
4.00E-01
9.03E+00
1.0
Note:
NA = Not applicable
ND = No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-184

-------
                                           TABLE A-2-144


                     CHEMICAL-SPECIFIC INPUTS FOR NAPHTHALENE (91-20-3)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
&/, (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
128.16
353.3
1.17E-04
at 25C
(solid)
3.11E+01
4.82E-04
5.26E-02
8.92E-06
2.36E+03
1.19E+03
1.19E+01
8.93E+01
4.76E+01
5.27E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-185

-------
                                                  TABLE A-2-145


                                               NICKEL (7440-02-0)


                                                    (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
Tn (K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (mL/g)
^ (L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
--
--
Kd, value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MDSTTEQ2 geochemical speciation
model.
Kdm value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdts value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
58.69
1,828
0.0
0.0
0.0
1.26E-01
1.46E-05
NA
NA
16atpH=4.9;
65atpH=6.8;
1,900 at pH=8.0;
16atpH=4.9;
65atpH=6.8;
1,900 at pH=8.0;
16atpH=4.9;
65atpH=6.8;
1,900 at pH=8.0;
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                       A-2-186

-------
                                             TABLE A-2-146


                     CHEMICAL-SPECIFIC INPUTS FOR 2-NITROANILINE (88-74-4)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
&/ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Montgomery and Welcom (1991).
S value cited in Montgomery and Welcom (1991).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koe value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdts, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
Ksg value wasassumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
138.12
342.1
1.07E-05
at 25C
(solid)
1.26E+03
1.17E-06
4.29E-02
9.81E-06
7.08E+01
3.93E+01
3.93E-01
2.95E+00
1.57E+00
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-187

-------
                                             TABLE A-2-147
                     CHEMICAL-SPECIFIC INPUTS FOR 3-NITROANILINE (99-09-2)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
^(cmVg)
Kdm (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
--
S value cited in Montgomery and Welcom (1991)
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1 996a).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was assumed to be 1.0 due to a lack of data.
138.12
387.1
1.07E-05
at 25C
(solid)
8.90E+02
1.65E-06
7.11E-02
8.23E-06
2.34E+01
1.66E+01
1.66E-01
1.24E+00
6.62E-01
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-188

-------
                                             TABLE A-2-148


                    CHEMICAL-SPECIFIC INPUTS FOR 4-NITROANILINE (100-01-6)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
Kdn (L/Kg)
&/,,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
--
S value cited in Montgomery and Welcom (1991)
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Kow value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koe value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was assumed to be 1.0 due to a lack of data.
138.12
419.10
ND
1.07E-05
1.65E-06
4.31E-02
9.75E-06
2.46E+01
1.72E+01
1.72E-01
1.29E+00
6.89E-01
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-189

-------
                                              TABLE A-2-149
                      CHEMICAL-SPECIFIC INPUTS FOR NITROBENZENE (98-95-3)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (mL/g)
&C (L/Kg)
rrffo (mL/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kdm, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the liquid-phase Vp value that is provided in
this table.
123.11
279.1
3.21E-04
at 25C
(liquid)
1.92E+03
2.06E-05
5.43E-02
9.43E-06
6.80E+01
1.19E+02
1.19E+00
8.93E+00
4.76E+004
1.28E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-190

-------
                                            TABLE A-2-150


                     CHEMICAL-SPECIFIC INPUTS FOR 2-NITROPHENOL (88-75-5)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-mVmol)
Z)a(cm2/s)
A, (cm2/s)
Km (unitless)
Kac (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
^(cm3/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koe value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
139.11
317.1
2.63E-04
at 25C (solid)
2.50E+03
1.46E-05
4.44E-02
9.19E-06
6.17E+01
3.53E+01
3.53E-01
2.65E+00
1.41E+00
9.03E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-191

-------
                                            TABLE A-2-151


                    CHEMICAL-SPECIFIC INPUTS FOR 4-NITROPHENOL (100-02-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in Howard (1989-1993).
S value cited in Howard (1989-1993).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koe value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koe that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdts, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
139.11
386.1
1.32E-06
at 25C (solid)
2.50E+04
7.32E-09
4.30E-02
9.61E-06
8.13E+01
4.37E+01
4.37E-01
3.28E+00
1.75E+00
2.09E+02
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-192

-------
                                           TABLE A-2-152


            CHEMICAL-SPECIFIC INPUTS FOR N-NITROSO-DI-N-BUTYLAMINE (924-16-3)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
MW value cited in U.S. EPA (1995b)
--
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value cited in NC DEHNR (1997).
158.20
NA
3.80E-04
at 25C
1.10E+03
5.47E-05
6.50E-02
7.52E-06
2.57E+02
1.07E+02
1.07E+00
8.05E+00
4.29E+00
7.44E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-193

-------
                                           TABLE A-2-153


              CHEMICAL-SPECIFIC INPUTS FOR 7V-NITROSODIPHENYLAMINE (86-30-6)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cm3/g)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Estimated value was obtained from U.S. EPA (1994c).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
198.23
339.6
1.32E-04
at25C
(solid)
3.74E+01
6.99E-04
3.12E-02
6.35E-06
1.06E+03
3.27E+02, for pH range of 4.9
to 8.0
3.27E+00
2.45E+01
1.31E+01
7.44E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-194

-------
                                           TABLE A-2-154


             CHEMICAL-SPECIFIC INPUTS FOR 7V-NITROSODIPROPYLAMINE (621-64-7)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
--
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
130.19
ND
4.63E-03
at25C
(liquid)
1.46E+04
4.13E-05
5.67E-02
7.75E-06
2.40E+01
1.70E+01
1.70E-01
1.28E+00
6.80E-01
1.41E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-195

-------
                                             TABLE A-2-155


                                  CHEMICAL-SPECIFIC INPUTS FOR
                      1,2,3,4,6,7,8,9-OCTACHLORODIBENZO(P)DIOXIN (3268-87-9)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1994a)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a; 1994c). Recommended value was
calculated by using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
460.76
598.1
1.09E-15
at 25C
(solid)
7.40E-08
7.00E-09
1.06E-02
3.69E-07
3.89E+07
2.40E+07
2.40E+05
1.80E+06
9.60E+05
1.09E-01
0.0017
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-196

-------
                                             TABLE A-2-156


                                  CHEMICAL-SPECIFIC INPUTS FOR
                      1,2,3,4,6,7,8,9-OCTACHLORODIBENZO(P)FURAN (39001-02-0)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Kdbs(cm3/g)
ksg (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S.EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1994a)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
444.76
531.1
4.93E-15
at 25C
(solid)
1.20E-06
1.90E-06
1.48E-02
3.78E-06
6.03E+08
3.72E+08
3.72E+06
2.79E+07
1.49E+07
1.10E-01
1.67E-03
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-197

-------
                                            TABLE A-2-157


                                  CHEMICAL-SPECIFIC INPUTS FOR
                       1,2,3,7,8-PENTACHLORODIBENZO(P)DIOXIN (40321-76-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Kdbs(cm3/g)
ksg (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S. EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
356.42
513.1
1.25E-12
at 25C
(solid)
1.20E-04
2.60E-06
1.21E-02
4.38E-06
4.37E+06
2.69E+06
2.69E+04
2.02E+05
1.08E+05
0.0
2.19E-01
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-198

-------
                                             TABLE A-2-158


                                  CHEMICAL-SPECIFIC INPUTS FOR
                        1,2,3,7,8-PENTACHLORODIBENZO(P)FURAN (57117-41-6)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdm (L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Homologue group average value obtained from U.S. EPA (1994a).
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value assumed to be the same as the ksg value calculated for 2,3,4,7,8-
PentaCDF. ksg value was calculated by using the chemical half-life in soil, as
cited in Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
340.42
498.1
3.58E-12
at 25C
(solid)
2.40E-04
6.20E-06
1.70E-02
4.51E-06
6.17E+06
3.80E+06
3.80E+04
2.85E+05
1.52E+05
3.57E-01
3.64E-01
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-199

-------
                                             TABLE A-2-159


                                  CHEMICAL-SPECIFIC INPUTS FOR
                        2,3,4,7,8-PENTACHLORODIBENZO(P)FURAN (57117-31-4)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
A/ff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was calculated by using Equation A-3-2. Recommended value was
calculated by using the MW and Da values that are provided in the tables in
Appendix A-2 for 2,3,7,8-TCDF.
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a) and U.S. EPA (1994c).
Recommended value was calculated by using the recommended Km value that is
provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kdm, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
340.42
469.1
4.33E-12
at25C
(solid)
2.36E-04
6.20E-06
1.70E-02
4.51E-06
8.32E+06
5.13E+06
5.13E+04
3.85E+05
2.05E+05
3.57E-01
2.63E-01
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-200

-------
                                           TABLE A-2-160


               CHEMICAL-SPECIFIC INPUTS FOR PENTACHLOROBENZENE (608-93-5)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Geometric mean value cited in U.S. EPA (19941)
Geometric mean value cited in U.S. EPA (19941)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
250.34
358.1
3.10E-06
at25C
(solid)
3.20E-02
2.43E-02
1.86E-02
7.34E-06
1.22E+05
3.21E+04
3.21E+02
2.41E+03
1.29E+03
7.33E-01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-201

-------
                                           TABLE A-2-161


            CHEMICAL-SPECIFIC INPUTS FOR PENTACHLORONITROBENZENE (82-68-8)


                                            (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
^ (unitless)
Koc (mL/g)
&/, (mL/g)
T^(L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (19941). U.S. EPA (1994c) cites value
from Howard (1989-1993)
Geometric mean value cited in U.S. EPA (19941); U.S. EPA (1994c) cites value
from Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt, (1982), which defines the constant. Recommended value was
calculated by using the MW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Dw value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (19941).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
295.36
417.1
3.1E-06
at25C
(solid)
3.20E-02
2.86E-02
1.87E-02
5.0E-06
4.37E+04
5.89E+03
5.89E+01
4.42E+02
2.36E+02
3.62E-01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                               A-2-202

-------
                       TABLE A-2-162
CHEMICAL-SPECIFIC INPUTS FOR PENTACHLOROPHENOL (87-86-5)
                         (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)

S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Koc (mL/g)










Kds (mL/g)









Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)

Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using tbeMW, S and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
!) value was obtained from CHEMDAT8 database, U.S. EPA (1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).










Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.









266.35
463
7.11E-07
at 25C
(solid)


1.34E+01
1.41E-05
1.56E-02
8.01E-06
1.20E+05
pH
2
3
4
5
6
7
8
9
10
11
12
13
14
pH
2
3
4
5
6
7
8
9
10
11
12
13
14
19,949
19,918
19,604
16,942
7,333
1,417
504.9
408.7
399.1
398.1
398.0
398.0
398.0
398.0
19&
199.2
196.0
169.4
73.33
14.17
5.05
4.09
3.99
3.98
3.98
3.98
3.98
3.98
                           A-2-203

-------
                                           TABLE A-2-162
                CHEMICAL-SPECIFIC INPUTS FOR PENTACHLOROPHENOL (87-86-5)

                                             (Page 2 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties (Continued)
^CCL/Kg)













Kdbs(mL/g)














ksg (year)'1

Fv (unitless)



Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.









Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.









Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
pH
1
2
3
4
5
6
7
8
9
10
11
12
13
14
pH

2
3
4
5
6
7
8
9
10
11
12
13
14
KOC
1,496
1,494
1,470
1,271
550.0
106.2
37.87
30.66
29.93
29.86
29.85
29.85
29.85
29.85
Koc
798.0
796.7
784.1
677.7
293.3
56.67
20.20
16.35
15.96
15.92
15.92
15.92
15.92
15.92
1.42E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in of LIST OF VARIABLES on page A-2-ii.
                                                A-2-204

-------
                                               TABLE A-2-163


                      CHEMICAL-SPECIFIC INPUTS FOR PHENANTHRENE (85-01-8)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cm3/g)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Geometric mean value calculated from values cited in Montgomery and
Welkom (1991).
S value cited in Lucius et al. (1992).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
178.22
371.1
1.35E-03
at25C
(solid)
1.28E+00
1.88E-01
3.33E-02
7.47E-06
3.55E+04
2.09E+04
2.09E+02
1.57E+03
8.35E+02
1.26E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-205

-------
                 TABLE A-2-164
CHEMICAL-SPECIFIC INPUTS FOR PHENOL (108-95-2)
                   (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)












JM,(cm3/g)
Kd^ (L/Kg)
&4(cm3/g)
fog (year)"1
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).












Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value was calculated by using the Koc value that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
94.11
314.0
5.74E-04at25C(solid)
9.08E+04
5.95E-07
8.27E-02
1.03E-05
3.00E+01
pH
2
3
4
5
6
7
8
9
10
11
12
13
14
Koc
22.0
22.0
22.0
22.0
22.0
22.0
22.0
21.8
20.0
11.2
2.27
0.51
0.32
0.30
2.20E-01
1.65E+00
8.79E-01
2.53E+01
                     A-2-206

-------
                                             TABLE A-2-164
                         CHEMICAL-SPECIFIC INPUTS FOR PHENOL (108-95-2)

                                               (Page 2 of 2)
Parameter
Fv (unitless)
Reference and Explanation
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
Value
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-207

-------
                                             TABLE A-2-165
                        CHEMICAL-SPECIFIC INPUTS FOR PHORATE (298-02-2)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
--
Vp value cited in Montgomery and Welkom (1991).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to be zero due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
260.4
ND
1.70E-06
at25C
(liquid)
3.80E+01
1.16E-05
2.05E-02
5.88E-06
6.46E+03
1.33E+03
1.33E+01
9.96E+01
5.31E+01
0.0
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-208

-------
                                               TABLE A-2-166
                  CHEMICAL-SPECIFIC INPUTS FOR PHTHALIC ANHYDRIDE (85-44-9)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Howard (1989-1993)
Howard (1989-1993)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
NCDEHNR(1997)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
148.11
403.9
2.63E-07
at 25C
(solid)
6.20E+03
6.28E-09
4.04E-02
8.97E-06
2.5E-01
2.10E-01
2.10E-03
1.57E-02
8.40E-03
1.35E+04
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-209

-------
                                               TABLE A-2-167
                      CHEMICAL-SPECIFIC INPUTS FOR PRONAMIDE (23950-58-5)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
&/,,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Du value was calculated using the equation cited in U.S. EPA (1996a).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kd, value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kdm value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdb, value was calculated by
using the Kac value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
256.13
428.1
5.30E-07
at 25C
(solid)
1.50E+01
9.05E-06
4.71E-02
5.45E-06
3.24E+03
7.74E+02
7.74E+00
5.81E+01
3.10E+01
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-210

-------
                                               TABLE A-2-168
                          CHEMICAL-SPECIFIC INPUTS FOR PYRENE (129-00-0)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1994c).
S value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Mackay,
Shiu, and Ma (1992)
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table. Vp value for this compound was converted to a liquid
phase value before being used in the calculations.
202.24
429.1
5.59E-09
at25C
(solid)
1.37E-01
8.25E-06
2.72E-02
7.14E-06
l.OOE+05
6.80E+04
6.80E+02
5.10E+03
2.72E+03
1.33E-01
0.9946
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-211

-------
                                             TABLE A-2-169
                        CHEMICAL-SPECIFIC INPUTS FOR PYRIDINE (110-86-1)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
// (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
A^ (unitless)
Koc (mL/g)
&/, (cmVg)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
79.10
231.5
2.60E-02
at25C
(liquid)
3.00E+02
6.86E-03
1.10E-01
1.08E-05
4.68E+00
4.72E+00
4.72E-02
3.54E-01
1.89E-01
3.61E+01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-212

-------
                                             TABLE A-2-170


                         CHEMICAL-SPECIFIC INPUTS FOR RONNEL (299-84-3)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
^CCL/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
--
--
--
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was assumed to be 1.0 due to a lack of data.
321.57
314.1
ND
ND
ND
4.05E-02
4.69E-06
1.17E+05
1.28E+04
1.28E+02
9.56E+02
5.10E+02
0.0
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-213

-------
                                            TABLE A-2-171
                        CHEMICAL-SPECIFIC INPUTS FOR SAFROLE (94-59-7)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
JM,(cm3/g)
^^ (L/Kg)
Trffa (cmVg)
fag (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dv value was obtained from WATERS model database (U.S. EPA 1995d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
162.18
284.1
1.10E-04
at 25C
(liquid)
1.50E+03
1.19E-05
4.06E-02
7.16E-06
4.57E+02
1.68E+02
1.68E+00
1.26E+01
6.73E+00
9.03E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-214

-------
                                               TABLE A-2-172


                        CHEMICAL-SPECIFIC INPUTS FOR SELENIUM (7782-49-2)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Km (mL/g)
Kds (mL/g)
^ (L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Devalue was calculated using the equation cited in U.S. EPA (1996a).
--

Kd, value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MDSTTEQ2 geochemical speciation
model.
Kdm value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
78.96
490.1
0.0
0.0
0.0
1.03E-01
1.20E-05
NA
NA
18atpH=4.9;
5.0atpH=6.8;
2.2 at pH=8.0
18atpH=4.9;
5.0atpH=6.8;
2.2 at pH=8.0
18atpH=4.9;
5.0atpH=6.8;
2.2 at pH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-215

-------
                                               TABLE A-2-173


                          CHEMICAL-SPECIFIC INPUTS FOR SILVER (7440-22-4)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Km (mL/g)
Kds (mL/g)
^ (L/Kg)
Kdbs(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Devalue was calculated using the equation cited in U.S. EPA (1996a).
--
--
Kd, value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MDSTTEQ2 geochemical speciation
model.
Kdm value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1 994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994f).
107.87
1,233.6
0.0
0.0
0.0
8.38E-02
9.71E-06
NA
NA
0.1 atpH=4.9;
8.3atpH=6.8;
110atpH=8.0
0.1 atpH=4.9;
8.3atpH=6.8;
110atpH=8.0
0.1 atpH=4.9;
8.3atpH=6.8;
110atpH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-216

-------
                                             TABLE A-2-174
                       CHEMICAL-SPECIFIC INPUTS FOR STRYCHNINE (57-24-9)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
Montgomery and Welkom (1991)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
334.40
541.1
2.20E-13
at 25C
(solid)
1.50E+02
4.90E-13
1.38E-02
5.58E-06
8.51E+01
4.53E+01
4.53E-01
3.40E+00
1.81E+00
9.03E+00
0.086
Note:
NA = Note applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-217

-------
                                               TABLE A-2-175
                         CHEMICAL-SPECIFIC INPUTS FOR STYRENE (100-42-5)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
104.14
242.5
8.21E-03
at 25C
(liquid)
2.57E+02
3.33E-03
7.73E-02
8.77E-06
8.49E+02
9.12E+02
9.12E+00
6.84E+01
3.65E+01
9.03E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-218

-------
                                              TABLE A-2-176


       CHEMICAL-SPECIFIC INPUTS FOR 2,3,7,8-TETRACHLORODIBENZO(P)DIOXIN (1746-01-6)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (mL/g)
Kd^ (L/Kg)
r^(mL/g)
fog (year)'1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
U.S. EPA(1994a)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a; 1994b). Recommended value was
calculated by using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kd, value was calculated by using the Koc value
that is provided in this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koc value that is provided
in this table.
Kdts value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value ofFv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
321.98
578.1
9.74E-13
at 25C
(solid)
1.93E-05
1.60E-05
1.27E-02
6.81E-06
4.37E+06
2.69E+06
2.69E+04
2.02E+05
1.08E+05
4.29E-01
0.4901
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-219

-------
                                            TABLE A-2-177


                                  CHEMICAL-SPECIFIC INPUTS FOR
                        2,3,7,8-TETRACHLORODIBENZO(P)FURAN (51207-31-9)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Atf, (cm3/g)
^ (L/Kg)
&/,,, (cm3/g)
ksg (year)"1
Fv (unitless)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a)
U.S. EPA(1994a).
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
U.S. EPA(1992d)
Koc value was calculated by using the correlation equation with Km for dioxins
and furans that is cited in U.S. EPA (1994a; 1994c). Recommended value was
calculated by using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kd,, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kdm value was calculated by using the Koc value that is provided
in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies depending
on the fraction of organic carbon in bottom sediment. Recommended Kdts value
was calculated by using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid phase value before being used in the calculations.
305.98
500.1
1.17E-11
at 25C
(solid)
4.19E-04
8.60E-06
1.79E-02
4.85E-06
3.39E+06
2.09E+06
2.09E+04
1.57E+05
8.36E+04
3.57E-01
0.6634
Note:
NA = Not Applicable
ND = No Data Available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-220

-------
                                              TABLE A-2-178


             CHEMICAL-SPECIFIC INPUTS FOR 1,2,4,5-TETRACHLOROBENZENE (95-94-3)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
215.89
411.1
7.1E-06
at 25C
(solid)
1.30E+00
1.18E-03
2.11E-02
8.75E-06
4.36E+04
5.89E+03
5.89E+01
4.42E+02
2.36E+02
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-221

-------
                                                TABLE A-2-179


              CHEMICAL-SPECIFIC INPUTS FOR 1,1,1,2-TETRACHLOROETHANE (630-20-6)


                                                  (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
M,, (cm3/g)
ksg (year)"1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1995b)
S value cited in U.S. EPA (1995b)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995)
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
167.85
230.1
1.60E-02
at 25C
(liquid)
1.10E+03
2.44E-03
3.15E-02
9.30E-06
4.27E+02
1.59E+02
1.59E+00
1.20E+01
6.37E+00
5.75E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-222

-------
                                               TABLE A-2-180


              CHEMICAL-SPECIFIC INPUTS FOR 1,1,2,2-TETRACHLOROETHANE (79-34-5)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
167.86
229.1
6.80E-03
at 25C
(liquid)
3.07E+03
3.72E-04
3.16E-02
9.26E-06
4.40E+04
7.90E+01
7.90E-01
5.93E+00
3.16E+00
5.75E+00
1.0
Note:
NA = Not applicable
ND = No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-223

-------
                                               TABLE A-2-181


                CHEMICAL-SPECIFIC INPUTS FOR TETRACHLOROETHYLENE (127-18-4)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dw value was obtained from WATERS model database (U.S. EPA 1995d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
165.85
251.1
2.42E-02
at 25C
(liquid)
2.32E+02
1.73E-02
7.20E-02
8.20E-06
3.51E+02
2.65E+02
2.65E+00
1.99E+01
1.06E+01
7.03E-01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-224

-------
                              TABLE A-2-182




CHEMICAL-SPECIFIC INPUTS FOR 2,3,4,6-TETRACHLOROPHENOL (58-90-2)




                                (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)












JM,(cm3/g)
T^(L/Kg)
Kdbs(cm3/g)
ksg (year)"1
U.S. EPA(1995b)
U.S. EPA(1995b)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from, Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dw value was obtained from WATERS model database (U.S. EPA 1995d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).












Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table for a pH of 7.0.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table for a pH of 7.0.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table for a pH of 7.0.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
231.89
343.0
6.60E-06at25C(solid)
l.OOE+02
1.53E-05
2.55E-02
5.78E-06
2.0E+04
pH
2
3
4
5
6
7
8
9
10
11
12
13
14
Koc
6,190
6,188
6,166
5,956
4,456
1,323
249.2
115.3
101.6
100.2
100.0
100.0
100.0
100.0
2.49
18.69
9.97
1.41
                                  A-2-225

-------
                                               TABLE A-2-182


              CHEMICAL-SPECIFIC INPUTS FOR 2,3,4,6-TETRACHLOROPHENOL (58-90-2)


                                                  (Page 2 of 2)
Parameter
Fv (unitless)
Reference and Explanation
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value ofFv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
Value
1.0
Note:
NA = Not applicable
ND = No data available


All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-226

-------
                                               TABLE A-2-183


                   CHEMICAL-SPECIFIC INPUTS FOR TETRAHYDROFURAN (109-99-9)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cm3/g)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in Budavari, O'Neil, Smith, and Heckleman (1989).
S value cited in U.S. EPA (1994b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Value cited in Karickoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard
(1989-1993).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
72.1
164.6
2.14E-01
at25C
(liquid)
l.OOE+06
1.54E-05
1.31E-01
1.07E-05
2.80E+00
3.16E+00
3.16E-02
2.37E-01
1.26E-01
4.43E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-227

-------
                                               TABLE A-2-184


                        CHEMICAL-SPECIFIC INPUTS FOR THALLIUM (7440-28-0)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mLlg)
Kdn (L/Kg)
4(mL/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Dw value was calculated using the equation cited in U.S. EPA (1996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MTNTEQ2 geochemical speciation
model.
Kd^ value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
--
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994fj.
204.38
576.6
0.0
0.0
0.0
5.48E-02
6.34E-06
NA
NA
44atpH=4.9;
71atpH=6.8;
96atpH=8.0
44atpH=4.9;
71atpH=6.8;
96atpH=8.0
44atpH=4.9;
71atpH=6.8;
96atpH=8.0
ND
0.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-228

-------
                                            TABLE A-2-185
                        CHEMICAL-SPECIFIC INPUTS FOR TOLUENE (108-88-3)

                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
^(cmVg)
Kd^ (L/Kg)
Sfa(cm3/g)
fesg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using theMW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991) and Mackay, Shiu, and Ma
(1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
92.13
178.1
3.71E-02
at25C
(liquid)
5.58E+02
6.13E-03
9.72E-02
9.23E-06
4.65E+02
1.40E+02
1.40E+00
1.05E+01
5.60E+00
1.15E+01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-229

-------
                                            TABLE A-2-186
                      CHEMICAL-SPECIFIC INPUTS FOR O-TOLUIDINE (95-53-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Vp (atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdm (L/Kg)
SUcmVg)
ksg (year)'1
Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in this table.
107.15
258.4
3.94E-04
at 25C
(liquid)
1.74E+04
2.43E-06
7.14E-02
9.12E-06
2.19E+01
1.57E+01
1.57E-01
1.18E+00
6.28E-01
3.61E+01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-230

-------
                                               TABLE A-2-187


                CHEMICAL-SPECIFIC INPUTS FOR 1,2,3-TRICHLOROBENZENE (87-61-6)


                                                 (Page  1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Z)a(cm2/s)
A, (cm2/s)
Kow (unitless)
Koc (mL/g)
Kds (cm3/g)
^ (L/Kg)
r^(cm3/g)
fog (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value calculated from values cited in Mackay, Shiu, and Ma
(1991).
Geometric mean value calculated from values cited in Mackay, Shiu, and Ma
(1991).
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
A, value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for
phthalates and PAHs, / all nonionizing organics except phthalates, PAHs,
dioxins, and furans, cited in U.S. EPA (1994c). Koc value was calculated by
using the recommended Km value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kd, value was calculated by using the Koc value
that is provided in this table.
Kdm value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^,, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^, value was calculated by using the Koc value that is provided
in this table.
Kdts value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Mackay, Shiu, and Ma (1992).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
181.46
325.7
3.20E-04
at 25C (solid)
2.05E+01
2.84E-03
3.02E-02
8.15E-06
1.11E+04
2.02E+03
2.02E+01
1.52E+02
8.10E+01
1.41E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-231

-------
                                              TABLE A-2-188


                CHEMICAL-SPECIFIC INPUTS FOR 1,2,4-TRICHLOROBENZENE (120-82-1)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991) and Mackay, Shiu, and Ma
(1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
181.46
290.1
4.42E-04
at 25C
(liquid)
3.07E+01
2.61E-03
3.00E-02
8.23E-06
9.73E+03
1.66E+03
1.66E+01
1.24E+02
6.64E+01
1.41E+00
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-232

-------
                                             TABLE A-2-189
                CHEMICAL-SPECIFIC INPUTS FOR 1,1,1-TRICHLOROETHANE (71-55-6)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dn (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckehnan (1989)
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1994c)
H value was calculated by using the theoretical equation from Lyman, Reehl,
and Rosenblatt (1982), which defines the constant. Recommended value was
calculated by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
!) value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c)
Geometric mean value cited in U.S. EPA (1996b)
Kds value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil.
Measured organic carbon in soil, specific to site conditions, should be used to
calculate Kds, because the value varies, depending on the fraction of organic
carbon in soil. Recommended Kds value was calculated by using the Koc value
that is provided in this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in
suspended sediment. Measured organic carbon in suspended sediment, specific
to site conditions, should be used to calculate Kd^, because the value varies,
depending on the fraction of organic carbon in suspended sediment.
Recommended Kd^ value was calculated by using the Koc value that is provided
in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited
in U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site
conditions, should be used to calculate Kdbs, because the value varies, depending
on the fraction of organic carbon in bottom sediment. Recommended Kdbs value
was calculated by using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in
Howard, Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977).
Recommended value of Fv was calculated by using the Vp value that is provided
in the table.
133.42
242.7
1.63E-01
at 25C (liquid)
1.17E+03
1.86E-02
4.66E-02
9.56E-06
2.64E+02
1.35E+05
1.35E+03
1.01E+04
5.40E+03
9.26E-01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-233

-------
                                            TABLE A-2-190
                CHEMICAL-SPECIFIC INPUTS FOR 1,1,2-TRICHLOROETHANE (79-00-5)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
Kds (cmVg)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
133.42
238.1
3.31E-02
at 25C
(liquid)
4.40E+03
l.OOE-03
4.51E-02
l.OE-05
1.25E+02
7.50E+01
7.50E-01
5.63E+00
3.00E+00
6.93E-01
1.0
Note:
NA = Not applicable
ND = No data available
All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-234

-------
                                               TABLE A-2-191
                  CHEMICAL-SPECIFIC INPUTS FOR TRICHLOROETHYLENE (79-01-6)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
JM,(cm3/g)
^^ (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
131.40
188.3
9.48E-02
at 25C
(liquid)
1.18E+03
1.06E-02
4.65E-02
9.94E-06
2.71E+02
9.40E+01
9.40E-01
7.05E+00
3.76E+00
0.703
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-235

-------
                                            TABLE A-2-192


             CHEMICAL-SPECIFIC INPUTS FOR TRICHLOROFLUOROMETHANE (75-69-4)


                                             (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S (mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
^ (mL/g)
JM,(cm3/g)
Kd^ (L/Kg)
SUcmVg)
fag (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in U.S. EPA (1995b).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
137.38
162.1
1.10E+00
at 25C
(liquid)
1.10E+03
1.37E-01
4.27E-02
l.OE-05
3.40E+02
1.34E+02
1.34E+00
l.OOE+01
5.34E+00
7.03E-01
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-236

-------
                                               TABLE A-2-193
                 CHEMICAL-SPECIFIC INPUTS FOR 2,4,5-TRICHLOROPHENOL (95-95-4)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
JM,(cm3/g)
^^ (L/Kg)
&4(cm3/g)
fog (year)"1
.Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value calculated using the Koc value that is provided in this table for a pH of 7.0.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table for a pH of 7.0.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Kdbs value calculated using the Koc value that is
provided in this table for a pH of 7.0.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
197.46
340.1
2.15E-05at25C(solid)
7.53E+02
5.64E-06
2.91E-02
7.03E-06
7.41E+03
pH
2
3
4
5
6
7
8
9
10
Koc
2,380
2,380
2,380
2,377
2,353
2,139
1,127
223.7
56.14
37.94
1.13E+01
8.45E+01
4.51E+01
0.367
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-237

-------
                           TABLE A-2-194
CHEMICAL-SPECIFIC INPUTS FOR 2,4,6-TRICHLOROPHENOL (88-06-2)
                             (Page 1 of 2)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
^ (mL/g)
JM,(cm3/g)
T^(L/Kg)
rrffa(cm3/g)
fog (year)"1
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
For all ionizing organics, Koc values were estimated on the basis of pH. Estimated
values were obtained from U.S. EPA (1994c).
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil. Kds
value calculated using the Koc value that is provided in this table for a pH of 7.0.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table for a pH of 7.0.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table for a pH of 7.0.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
197.46
342.1
1.55E-05
at 25C
(solid)
7.53E+02
4.06E-06
2.62E-02
8.08E-06
5.15E+03
pH
1
2
3
4
5
6
7
8
9
10
Koc
1,070
1,070
1,069
1,063
1,006
670.8
226.2
120.4
108.4
107.1
2.26E+00
1.70E+01
9.05E+00
3.61E+00
                               A-2-238

-------
                                               TABLE A-2-194
                 CHEMICAL-SPECIFIC INPUTS FOR 2,4,6-TRICHLOROPHENOL (88-06-2)


                                                  (Page 2 of 2)
Parameter
Fv (unitless)
Reference and Explanation
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
Value
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-239

-------
                                            TABLE A-2-195
               CHEMICAL-SPECIFIC INPUTS FOR 1,2,3-TRICHLOROPROPANE (96-18-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
JM,(cm3/g)
Kdn (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Montgomery and Welkom (1991)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
147.43
258.4
4.90E-03
at 25C
(liquid)
1.90E+03
3.80E-04
3.99E-02
9.24E-06
1.78E+02
8.05E+01
8.10E-01
6.04E+00
3.22E+00
7.03E-01
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-240

-------
                                              TABLE A-2-196


               CHEMICAL-SPECIFIC INPUTS FOR 1,3,5-TRIMETHYLBENZENE (108-67-8)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1992a).
S value cited in U.S. EPA (1992a).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Km value cited in Howard (1989-1993).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Mackay,
Shiu, and Ma (1992).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value ofFv was calculated by using the Vp value that is provided in the table.
120.19
287.9
1.30E-03
at 25C
(liquid)
2.00E+01
7.81E-03
6.48E-02
7.86E-06
2.63E+03
1.67E+03
1.67E+01
1.25E+02
6.69E+01
3.16E+01
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-241

-------
                                              TABLE A-2-197
                 CHEMICAL-SPECIFIC INPUTS FOR 1,3,5-TRINITROBENZENE (99-35-4)


                                                (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
.RT^ (unitless)
Kx (mL/g)
JM,(cm3/g)
^^ (L/Kg)
SUcmVg)
fag (year)'1
.Fv (unitless)
Budavari, O'Neill, Smith, and Heckelman (1989)
Budavari, O'Neill, Smith, and Heckelman (1989)
Vp value cited in U.S. EPA (1995b).
S value cited in U.S. EPA (1995b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from WATERS model database (U.S. EPA 1995d).
Dv value was obtained from WATERS model database (U.S. EPA 1995d).
Arithmetic mean value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using equations cited in Junge (1977) and Bidleman
(1988). Recommended value of Fv was calculated by using S, Tm, and Vp values
that are provided in this table. Vp value for this compound was converted to a
liquid-phase value before being used in the calculations.
213.11
395.6
1.30E-07
at 25C
(solid)
3.20E+02
8.66E-08
2.84E-02
6.08E-06
1.51E+01
1.18E+01
1.18E-01
8.84E-01
4.72E-01
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                   A-2-242

-------
                                               TABLE A-2-198


                 CHEMICAL-SPECIFIC INPUTS FOR 2,4,6 -TRINITROTOLUENE (118-96-7)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
^ (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Value cited in U.S. EPA (1994b).
Value cited in U.S. EPA (1994b).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Koc value was calculated by using the correlation equation with Km for phthalates
and PAHs, / all nonionizing organics except phthalates, PAHs, dioxins, and furans,
cited in U.S. EPA (1994c). Koc value was calculated by using the recommended Km
value that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991)
Fv value was assumed to be 1.0 due to a lack of data.
227.13
353.2
2.63E-07
1.30E+02
4.59E-07
2.62E-02
5.85E-06
3.98E+01
2.51E+01
2.51E-01
1.88E+00
l.OOE+00
1.41E+00
0.9980
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-243

-------
                                            TABLE A-2-199
                    CHEMICAL-SPECIFIC INPUTS FOR VINYL ACETATE (108-05-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kd. (cm3/g)
* (L/Kg)
Kdbs (cm3/g)
fag (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans, cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kdm value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdts, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdbs value was calculated by
using the Koc value that is provided in this table.
Ksg value was assumed to be 0 due to a lack of data.
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
86.09
180.1
1.43E-01
at 25C
(liquid)
2.24E+04
5.50E-04
9.94E-02
l.OOE-05
5.00E+00
4.97E+00
4.97E-02
3.73E-01
1.99E-01
0.0
1.0
Note:
NA= Not applicable
ND= No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                A-2-244

-------
                                            TABLE A-2-200


                    CHEMICAL-SPECIFIC INPUTS FOR VINYL CHLORIDE (75-01-4)


                                              (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
r(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da (cm2/s)
Dv (cm2/s)
Km (unitless)
Kx (mL/g)
^(cmVg)
Kdm (L/Kg)
Sfa(cm3/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
Geometric mean value cited in U.S. EPA (1994c).
Geometric mean value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dv value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Geometric mean value cited in U.S. EPA (1994c).
Koc value was calculated by using the correlation equation with Km for all
nonionizing organics except phthalates, PAHs, dioxins, and furans as cited in
U.S. EPA (1994c). Koc value was calculated by using the recommended Km value
that is provided in this table.
Kds value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed fraction organic carbon of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^ value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^ value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon of 0.04 in bottom sediment.
Measured organic carbon in bottom sediment, specific to site conditions, should be
used to calculate Kdbs, because the value varies depending on the fraction of organic
fraction in bottom sediment. Recommended Kdbs value was calculated by using the
Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in this table.
62.50
119.3
3.68E+00
at 25C
(liquid)
7.30E+02
3.15E-01
1.58E-01
1.19E-05
1.40E+01
1.11E+01
1.11E-01
8.32E-01
4.44E-01
1.41E+00
1.0
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                 A-2-245

-------
                                               TABLE A-2-201
                         CHEMICAL-SPECIFIC INPUTS FORM-XYLENE (108-38-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
&/, (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1994c).
S value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
106.16
225.7
1.06E-02
at 25C
(liquid)
1.86E+02
6.05E-03
7.69E-02
8.49E-06
1.59E+03
1.96E+02
1.96E+00
1.47E+01
7.84E+00
9.03E+00
1.000
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-246

-------
                                               TABLE A-2-202
                         CHEMICAL-SPECIFIC INPUTS FOR O-XYLENE (95-47-6)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
&C (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1994c).
S value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdbs value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using the equation cited in Junge (1977). Recommended
value of Fv was calculated by using the Vp value that is provided in the table.
106.16
248.1
1.06E-02
at 25C
(liquid)
1.86E+02
6.05E-03
7.69E-02
8.44E-06
1.35E+03
2.41E+02
2.41E+00
1.81E+01
9.64E+00
9.03E+00
1.000
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-247

-------
                                               TABLE A-2-203
                         CHEMICAL-SPECIFIC INPUTS FORP-XYLENE (106-42-3)


                                                 (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
Mff(g/mole)
rm(K)
Vp (atm)
S (mg/L)
H (atm-m3/mol)
Da (cm2/s)
A, (cm2/s)
Km (unitless)
Koc (mL/g)
Kds (cm3/g)
Kd^ (L/Kg)
rrffo (cm3/g)
ksg (year)"1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Montgomery and Welkom (1991)
Vp value cited in U.S. EPA (1994c).
S value cited in U.S. EPA (1994c).
H value was calculated by using the theoretical equation from Lyman, Reehl, and
Rosenblatt (1982), which defines the constant. Recommended value was calculated
by using the MW, S, and Vp values that are provided in this table.
Da value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Dw value was obtained from CHEMDAT8 database (U.S. EPA 1994d).
Recommended Km value cited in Karickhoff and Long (1995).
Geometric mean of measured values obtained from U.S. EPA (1996b).
Kd, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.01 in soil. Measured
organic carbon in soil, specific to site conditions, should be used to calculate Kds,
because the value varies, depending on the fraction of organic carbon in soil.
Recommended Kds value was calculated by using the Koc value that is provided in
this table.
Kd^, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.075 in suspended
sediment. Measured organic carbon in suspended sediment, specific to site
conditions, should be used to calculate Kd^,, because the value varies, depending on
the fraction of organic carbon in suspended sediment. Recommended Kd^, value
was calculated by using the Koc value that is provided in this table.
Kdb, value was calculated by using the correlation equation with Koc that is cited in
U.S. EPA (1993d) for an assumed organic carbon fraction of 0.04 in bottom
sediment. Measured organic carbon in bottom sediment, specific to site conditions,
should be used to calculate Kdbs, because the value varies, depending on the fraction
of organic carbon in bottom sediment. Recommended Kdts value was calculated by
using the Koc value that is provided in this table.
Ksg value was calculated by using the chemical half-life in soil, as cited in Howard,
Boethling, Jarvis, Meylan, and Michalenko (1991).
Fv value was calculated by using equations cited in Junge (1 977) and Bidleman
(1988). Recommended value of Fv was calculated by using Tm and Vp values that
are provided in this table.
106.16
286.1
1.06E-02
at 25C
(liquid)
1.86E+02
6.05E-03
7.61E+02
8.50E-06
1.48E+03
3.11E+02
3.11E+00
2.33E+01
1.24E+01
9.03E+00
1.00
Note:
NA = Not applicable
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                    A-2-248

-------
                                             TABLE A-2-204


                          CHEMICAL-SPECIFIC INPUTS FOR ZINC (7440-66-6)


                                               (Page 1 of 1)
Parameter
Reference and Explanation
Value
Chemical/Physical Properties
MW(g/mo\e)
rm(K)
Fp(atm)
S(mg/L)
H (atm-mVmol)
Da(cm2/s)
Dw (cm2/s)
Km (unitless)
Koc (mL/g)
Kds(mL/g)
^CCL/Kg)
Kdbs(mL/g)
ksg (year)'1
Fv (unitless)
Budavari, O'Neil, Smith, and Heckelman (1989)
Budavari, O'Neil, Smith, and Heckelman (1989)
All metals, except mercury, are assumed to be nonvolatile at ambient
temperatures.
All metals, except mercury, are assumed to be insoluble in water.
OR Budavari, O'Neil, Smith, and Heckelman (1989)
H value is assumed to be zero, because the Vp and S values are zero for all
metals, except mercury.
Da value was calculated using the equation cited in U.S. EPA (1996a).
Devalue was calculated using the equation cited in U.S. EPA (1996a).
--
--
Kds value was obtained from U.S. EPA (1996b), which provides pH-based
values that were estimated by using the MTNTEQ2 geochemical speciation
model.
Kd^ value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
Kdbs value is assumed to be same as the Kds value, because organic carbon does
not play a major role in sorption for the metals, as cited in U.S. EPA (1994f).
-
Because they are nonvolatile, metals are assumed to be 100 percent in
particulate phase and zero percent in the vapor phase, as cited in
U.S. EPA(1994fj.
65.38
692.6
0.0
0.0
0.0
1.17E-01
1.36E-05
NA
NA
6.2E+01atpH=6.8
6.2E+01atpH=6.8
6.2E+01atpH=6.8
ND
0.0
Note:
NA = Not applicable;
ND = No data available

All parameters are defined in LIST OF VARIABLES on page A-2-ii.
                                                  A-2-249

-------