EPA/600/R-95/039
March 1995
ENVIRONMENTAL FATE CONSTANTS FOR
ADDITIONAL 27 ORGANIC CHEMICALS UNDER
CONSIDERATION FOR
EPA'S HAZARDOUS WASTE IDENTIFICATION PROJECTS
Compiled and edited by
Heinz P. Kollig
Contributors: J. Jackson Ellington
Samuel W. Karickhoff
Brenda E. Kitchens
Heinz F. Kollig
J. MacArthur Long
Eric J. Weber
N. Lee Wolfe
ENVIRONMENTAL RESEARCH LABORATORY
OFFICE OF RESEARCH AND DEVELOPMENT
U.S. ENVIRONMENTAL PROTECTION AGENCY
ATHENS, GA 30G05-2700
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DISCLAIMER
The information in this document has been funded by the United States Environmental
Protection Agency. It has been subjected to the Agency's peer and administrative review and it
has been approved for publication as an EPA document.
ii
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FOREWORD
As it becomes more and more obvious that many thousands of potentially hazardous man-
made chemicals find their way into ambient environments, the need for a comprehensive
understanding of the distribution of chemicals and their transport and transformation reaches a
higher level of importance. As part of this Laboratory's research on the occurrence, movement,
transformation, impact, and control of chemical contaminants, the Chemistry Branch and the
Measurements Branch determine the occurrence of unexpected organic chemicals in the
environment, define mechanisms of transport and abiotic transformation, and develop and apply
advanced methods to predict and measure physical and chemical transformation and equilibrium
constants for use in exposure assessment.
Under Section 301 of the Resources Conservation and Recovery Act (RCRA), EPA's
Office of Solid Waste is required to develop and promulgate criteria for identifying and listing
hazardous wastes, taking into account, among other factors, persistence and degradability in the
environment of selected chemicals. A requirement of the legislation is for EPA to take an initial
step toward defining wastes that do not merit regulation under Subtitle C of RCRA and can be
managed under other regimes. For establishing exemption criteria, the Agency has selected more
than 200 chemical constituents that may occur in the various wastes. Some of the means by
which these chemicals may be transformed, including hydrolysis degradation pathways and fate
constants, were reported for 189 organic chemicals in a previous publication. This report is an
addendum to this previous publication that provides an additional 27 chemicals with several more
parameters added.
Rosemarie C. Russo, Ph.D.
Director
Environmental Research Laboratory
Athens, Georgia
iii
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ABSTRACT
Under Section 301 of the Resource Conservation and Recovery Act (RCRA), EPA's Office
of Solid Waste is in the process of identifying chemicals to be considered in projects called the
Hazardous Waste Identification Projects. A previous publication (EPA/600/R-93/132) addressed
189 organics in these projects. The environmental fate constants and chemical hydrolysis of an
additional 27 organic chemicals are addressed in this report. Sorption coefficients are presented in
terms of the octanol/water partition coefficient and the organic-carbon-normaiized sediment/water
partition coefficient. The ionization constant is given when this process affects sorption in the
environmental pH range. Additionally, values for aqueous solubility, Henry's law constant, vapor
pressure, and diffusfvity are reported.
iv
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Table of Contents
Introduction 1
Definitions 3
Organic-carbon-normalized Sediment/water Partition Coefficient 3
Octanol/water Partition Coefficient 3
Water Solubility 3
Henry's law constant 4
Vapor Pressure 4
Dlffusivity 4
Hydrolysis 4
Computation of log Koc 5
Neutral Organic Compounds 5
lonizable Organic Compounds 5
The Expert System SPARC 7
Data for Physical and Chemical Process Parameters 8
References 10
Chemical Structures and Information on Hydrolysis II
v
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Introduction
Assessment of potential risk posed to humans by man-made chemicals in the environment requires
the prediction of environmental concentrations of those chemicals under various environmental
reaction conditions. Whether mathematical models or other assessment techniques are employed,
knowledge of equilibrium and kinetic constants (fate constants) is required to predict the transport
and transformation of these chemicals.
Under section 301 of the Resource Conservation and Recovery Act (RCRA), EPA's Office of
Solid Waste (OSW) has identified wastes that may pose a substantial hazard to human health and
the environment. RCRA requires that EPA develop and promulgate criteria for identifying and
listing hazardous wastes, taking into account, among other factors, persistence and degradability in
the environment of selected chemicals.
EPA continues to believe that the Agency must assure continuity of the hazardous waste program
while developing appropriate revisions. While fully preserving existing hazardous waste identifica-
tion rules, EPA is considering alternatives to take an initial step towards defining wastes that do not
merit regulation under Subtitle C and that can and will be safely managed under other regulatory
regimes.
In the course of developing appropriate revisions, OSW is in the process of identifying chemicals
to be considered in projects called the Hazardous Waste Identification Projects. At this time,
there are more than 200 chemical constituents identified in these projects. The environmental
fate constants and the chemical hydrolysis pathways of 189 organics were addressed in a previous
report'.
For the 27 selected organic compounds in this report, OSW requested that the Environmental
Research Laboratory-Athens (ERL-Athens):
a) identify those that do not hydrolyze.
b) identify those that do hydroiyze and list products of degradation including hydrolysis rate
constants for parents and intermediates obtained either through laboratory experiments at
ERL-Athens, literature searches, or pathway analyses.
c) obtain sorption data as the organic-carbon-normalized sediment/water partition coefficient
and the octanol/water partition coefficient either through laboratory experiments at ERL-
Athens, literature searches, or computational techniques.
d) obtain data for aqueous solubility, Henry's law constant, vapor pressure, and diffusivity.
e) to the extent that current scientific knowledge will permit, identify those that will be subject
to other important degradation reactions.
For compounds identified as having no hydrolyzable functional group (NHFG), hydrolysis will not
occur by abiotic reaction pathways in the pH range of 5 to 9 at 25°C.
The compounds identified as having non-iabile functional groups (NLFG) will not hydroiyze to any
reasonable extent. Although a molecule with a non-labiie functional group contains one or more
heteroatoms, they react so slowly over the pH range of 5 to 9 at 25°C that their half-lives will be
greater than 50 years, if they react at all.
1
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Some compounds may exist in the environment as ionized species. The values given in this report
are for the neutral form of these species. It should be understood that both the persistence and
mobility of a chemical in the environment is influenced by many environmental factors that may
change from environment to environment.
A team of EPA scientists met to discuss the rates and probable pathways of transformation for
hydrolysis. The methods used to arrive at the reaction products were based primarily on the
team's experience with similar compounds, their knowledge of the theory of these processes, and
their understanding of structure-activity relationships.
This report includes:
1. A short definition for:
a) Organic-carbon-normalized sediment/water partition coefficient (K^.)
b) Octanol/water partition coefficient (Kow)
c) Water solubility
d) Henry's law
e) Vapor pressure
f) Diffusivity
g) Hydrolysis
2. A short treatise on how the log was computed from the log Kow.
3. A short treatise on the computational expert system SPARC2 (SPARC Performs Automat-
ed Reasoning in Chemistry) which was used to compute the values for the octanol/water
partition coefficient, the water solubility, the Henry's law constant, the vapor pressure,
and the diffusivity.
4. Table 1 containing the data for the individual parameters at 25°C.
5. A structural representation of each chemical including information on chemical hydrolysis.
For a more detailed treatise on chemical hydrolysis and sorption, the reader is referred to the
previous publication (EPA/600/R-93/132).
2
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Definitions
Organic-carbon-normalized Sediment/water Partition Coefficient (K^)
The value for a chemical is given by:
K„=Kp/f0C
where
Kp = Cs/Cw=sediment/water partition coefficient
foc= fraction organic carbon (weight basis)
Cs=concentration of chemical on sediment
0,=concentration of chemical in water
and is used to estimate the Kp value for a sediment of known organic carbon fraction, foc.
Because Koc values are normalized for the organic carbon content in the sediment, they can
be used to estimate the Kp values for other sediments. Some researchers use total organic matter
for normalization and obtain Kom instead of K,,,..
Octanol/water Partition Coefficient (Kow)
The octanol/water partition coefficient (Kow), is defined as the ratio of the equilibrium
concentration of a dissolved substance in a system consisting of n-octanol and water, and is ideally
dependent upon temperature and pressure.
^ow=Qct/Q
where C^, is the concentration of the substance in n-octanol and Q is the concentration of the
substance in water. The Kow is useful in predicting soil adsorption, biological uptake, lipophilic
storage and biomagnification. It is also useful in estimating the organic-carbon-normalized
sediment/water partition coefficient (K^) and the water solubility (Sw) using property reactivity
correlations, and is frequently reported in the form of its logarithm to base ten as logP.
Water Solubility (Sw)
Water solubility is defined as the quantity of solute present in a given amount of saturated water,
at a certain temperature. Sw of a chemical is an important characteristic for that chemical's
potential environmental movement and distribution. A number of processes can be affected by Sw
such as adsorption and desorption on soils, hydrolysis, photolysis, oxidation/reduction, and
biodegradation. Sw values are often used for estimating Henry's law constants for calculating
volatilization rate constants. A good correlation has been established between solubilities of
organic compounds and their octanol/water partition coefficients.
3
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Henry's law constant (Hc)
Henry's law states that the solution of a gas in a liquid is directly proportional to the pressure of
the gas above the liquid at a definite temperature and is given by: HC = PX', where P is the partial
pressure and X is the mole fraction. Hence, Hc data are often used to calculate vapor pressure
and the rate of volatilization and can be regarded as the ratio of vapor pressure to water solubility.
Vapor Pressure (Pv)
Vapor pressure is defined as the pressure exerted by a vapor when a state of equilibrium has been
reached between a liquid, solid, or solution, respectively, and its vapor. Pv increases as the
temperature increases, and Pv values for certain compounds (e.g. chlorinated benzenes and
phenols) can be estimated graphically from the boiling points and the boiling point/vapor pressure
relationship for homologous series. Pv data can also be estimated using: PV = HCSW, where Hc is
Henry's law constant and Sw is water solubility. Pv values are used for the calculation of
volatilization rates.
Diffusivity
Diffiisivity or coefficient of diffusion represents the quantity of gas travelling one centimeter per
second through a surface of one square centimeter.
Hydrolysis
In general, hydrolysis is a bond-making, bond-breaking process in which a molecule, RX, reacts
with water forming a new R-O bond with the oxygen atom from water and cleaving an R-X bond
in the original molecule. One possible pathway is the direct displacement of X with HO as shown
in Equation 1.
RX + H20 > ROH + HX (1)
The detailed mechanisms of hydrolytic processes are well defined and have been shown to involve
the formation of intermediates such as protonated species, anions and carbonium ions, as well as
combinations of these intermediates.
4
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Computation of log Koc
Neutral Organic Compounds
Partitioning between water and natural soils, sediments, and aquifer materials is an important
process affecting transport, transformation rates, toxicity, and the ultimate disposition of organic
chemicals in the environment. Research focusing on the partitioning of neutral organic compounds
has shown that adsorption of these compounds is usually controlled by hydrophobic interactions.
As a result, the affinity that a natural sorbent has for neutral organic solutes, in most cases, can be
reliably estimated from characterization (quantification) of the hydrophobicity of the chemical and
the sorbent.
For neutral compounds, the organic-carbon-normalized sediment/water partition coefficients in
Table 1 have been calculated using the relationship,
log Koc = log Kow - 0.32 (2)
given by Hassett et a!3. This correlation was calculated from adsorption isotherms of 13 organic
chemicals, representing several classes of compounds, using 14 different sediment and soil samples.
This correlation adequately predicts partitioning of several classes of organic compounds, including
chlorinated and nonchlorinated aromatic and alkyl hydrocarbons. Use of this correlation will
generally be valid for soils, sediments, and aquifer materials that have organic carbon contents
greater than 0.1 %.
lonizable Organic Compounds
Predicting the partitioning of ionizable organic compounds is not as straightforward as for the
neutral compounds. These compounds, whether they are acids or bases, can exist as ions in
solution depending upon the pH of the solution.
In general, more effort has been expended investigating the sorption of organic acids than the
sorption of organic bases. For organic acids, adsorption can be modeled to sediments, soils, and
aquifer materials in a similar manner to that of the neutral compounds, after taking into account
ionization, as long as the pH is not more than one unit above the pKa of the compound4,5.
For organic acids, the pKa must be considered in the computation of the K^. The following
relationship was used:
5
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6 < pK, < 9: = 1.05^
•<0.82»
I.Oh
K_
[HI
(3)
which simplifies at pH 7 to:
K - 1-05x1°7xK^82) {4)
107 + K„
6
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The Expert System SPARC
All values in Table 1, including pK^ were computed with SPARC2 (SPARC Performs Automated
Reasoning in Chemistry) except values for the log Koc/ which were computed manually from the
log Kow values.
SPARC is a computational expert system that predicts chemical reactivity. The system has the
capability of crossing chemical boundaries to cover all organic chemicals and uses algorithms based
on fundamental chemical structure theory to estimate parameters. SPARC quantifies reactivity by
classifying molecular structures and selecting appropriate "mechanistic" models. It uses an
approach that combines principles of quantitative structure-activity relationships, linear free energy
theory (LFET), and perturbed molecular orbital (PMO) or quantum chemistry theory. In general,
SPARC utilizes LFET to compute thermal properties and PMO theory to describe quantum effects
such as delocalization energies or polarizabilities of n electrons.
For example, SPARC computes the log of the octanol-water partition coefficient from activity
coefficients in the octanol ( Yo ) ar,d water ( Yw ) phases:
log = log — + log (5)
where M0 and Mw are solvent modularities of octanol and water, respectively. Activity coeffi-
cients for either solvent or solute are computed by solvation models that are built from structural
constituents requiring no data besides the structures.
A goal for SPARC is to compute values that are as accurate as values obtained experimentally for
a fraction of the cost required to measure them. Because SPARC does not depend on laboratory
measurements conducted on compounds with structures closely related to that of the solute of
interest, it does not have, for Instance, the inherent problems of phase separation encountered in
measuring highly hydrophobic compounds (log Kovv > 5). For these compounds, SPARC'S
computed value should, therefore, be more reliable than a measured one. However, at this time
no SPARC version has been assigned for the physical property calculator. Data computed after
future refinement in the calculator may, therefore, be slightly different. The number of significant
figures reflects the certainty in the computation of the calculator.
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TABLE 1. Data for Physical and Chemical Process Parameters.
Common Name
Chemical
Abstract
Service
NO.
Water
Solubility
(mg/L)
Sorption
Log Koc
Sorption
Log Kow
Henry's
law con-
stant
(atm-
m3/mol)
Vapor
Pressure
(torr)
Diffusivity
in Air
(cm2/s)
Hydrolysis
1. Anthracene
120-12-7
7.6E-2
4.21
4.53
1.9E-5
6.1E-6
0.055
NHFG
2. Benzenethiol3
pKa = 6.5
108-98-5
7.6E2
1.32
2.35
4.4E-4
2.4
0.076
NLFG
(OXIDIZES)
3. BenzotgA/'ipervlene
191-24-2
1.2E-4
6.28
6.60
1.2E-7
4.0E-11
0.039
NHFG
4. BenzoMfluoranthene
207-08-9
9.4E-4
6.0
6.3
5.0E-7
1.4E-9
0.041
NHFG
5. Bromobenzene
108-86-1
4.1E2
2.43
2.75
2.1 E-3
4.2
0.073
NLFG"
6. n-Butvlbenzene
104-51-8
21
3.8
4.1
9.7E-3
1.1
0.060
NHFG
7. sec-Butylbenzene
135-98-8
38
3.6
3.9
9.8E-3
2.1
0.061
NHFG
8. carbazole
86-74-8
4.0E-1
3.3
3.6
8.6E-7
1.6E-6
0.062
NHFG
9. Crotonaldehyde
4170-30-3
1.3E5
-0.06
0.26
3.1 E-5
4.5E1
0.093
SEE PAGE 13
10. Dibenzofuran
132-64-9
4.3
3.8
4.1
1.4E-4
2.7E-3
0.059
NHFG
11. 1,2,3,4,6,7,8-
Heptachlorodibenzo-
furan
67562-39-4
9.5E-7
8.20
8.52
3.7E-5
6.5E-11
0.043
NLFG
12. 1,2,3,4,7,8,9-
Heptachlorodibenzo-
furan
55673-89-7
1.3E-6
8.2
8.5
3.8E-5
9.5E-11
0.043
NLFG
8
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Common Name
Chemical
Abstract
Service
NO.
water
Solubility
(mg/L)
Sorption
L°3 Koc
Sorption
Log Kow
Henry's
law con-
stant
(atm-
ms/mol)
Vapor
Pressure
(torr)
Diffusivity
in Air
(cm2/s)
Hydrolysis
13. 1,2,3,4,6,7,8-
Heptachlorodibenzo-
p-dioxin
35822-46-9
1.9E-7
8.53
8.85
4.1E-5
1.4E-11
0.043
NLFC
14. 1,2,3,4,7,8-
Hexachlorodibenzo-
furan
70648-26-9
7.3E-6
7.54
7.86
4.2E-5
6.3E-10
0.045
NLFC
15. 1,2,3,6,7,8-
Hexachlorodibenzo-
furan
57117-44-9
6.9E-6
7.55
7.87
4.2E-5
5.9E-10
0.045
NLFC
16. 1,2,3,7,8,9-
Hexachlorodibenzo-
furan
72918-21-9
7.3E-6
7.55
7.87
4.3E-5
6.4E-10
0.045
NLFC
17. 2,3,4,6,7,8-
Hexachlorodibenzo-
furan
60851-34-5
7.6E-6
7.54
7.86
4.1E-5
6.3E-10
0.045
NLFC
18. 2-Hexanone
591-78-6
1.8E4
1.0
1.3
8.7E-5
1.2E1
0.072
NHFC
19. indene
95-13-6
3.9E2
2.5
2.8
5.0E-4
1.3
0.071
NHFC
20. p-isopropyltoluene
99-87-6
28
3.7
4.0
9.3E-3
1.5
0.060
NHFC
21. 2-Methylchrysene
3351-32-4
8.5E-4
5.82
6.14
1.2E-6
3.1 E-9
0.044
NHFC
22.1-Methylnaphthalene
90-12-0
40
3.52
3.84
2.8E-4
6.6E-2
0.060
NHFC
23. 2-Methylnaphthalene
91-57-6
33
3.54
3.86
3.0E-4
5.8E-2
0.061
NHFC
24. Phenanthrene
85-01-8
1.1
4.25
4.57
2.3E-5
1.0E-4
0.055
NHFC
25. n-Propylbenzene
103-65-1
57
3.35
3.67
9.9E-3
3.6
0.065
NHFC
9
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Common Name
Chemical
Abstract
Service
NO.
water
Solubility
(mg/L)
Sorption
Log Koc
Sorption
Log Kow
Henry's
law con-
stant
(atm-
ms/mol)
vapor
Pressure
(torr)
Diffusivity
in Air
(cm2/s)
Hydrolysis
26.1,2,4-Trimethylbenzene
95-63-6
70
3.28
3.60
4.9E-3
2.2
0.065
NHFG
27.1,3,5-Trimethylbenzene
108-67-8
67
3.37
3.69
6.3E-3
2.7
0.065
NHFG
a. Values reported are for neutral species.
b. Bromobenzene was tested in the laboratory for hydrolysis, no disappearance was noted after 29 days at 85°C in 0.1N sodium
hydroxide and 0.1 N hydrochloric acid.
References
1. Kollig, H.P. 1993. Environmental Fate Constants for Organic Chemicals Under Consideration for epa's Hazardous waste Identification
Projects. U.S. EPA, Environmental Research Laboratory, Athens, GA, EPA/600/R-93/132.
2. Karickhoff, S.W., l.a. carreira, C. Melton, V.K. McDaniel, A.N. Vellino, and d.e. Nute. 1989. Computer Prediction of Chemical Reactivity--
The Ultimate SAR. U.S. Environmental Protection Agency, Athens, GA. EPA/600/M-89/017.
3. Hassett, J.J., J.c. Means, w.L. Banwart, and S.C. wood. 1980. Sorption Properties of Sediments and Energy-related Pollutants. U.S.
Environmental Protection Agency, Athens, GA, EPA-600/3-80-041.
4. Schellenberg, K., C. Leuenberger, and R.P. Schwarzenbach. 1984. sorption of chlorinated phenols by natural sediments and aquifer
materials. Environ. Sci. Techno!. l8(9):652-657.
5. Jafvert, C.T. 1990. Sorption of organic acid compounds to sediments: initial model development. Environ. Toxicol. Chem. 9:1259-1268.
10
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Chemical Structures and Information on Hydrolysis.
1. Anthracene (120-12-7)
Anthracene will not hydrofyze. It has no hydrolyzable functional group.
2. Benzenethiol (108-98-5)
Benzenethiol will not hydrofyze to any reasonable extent; however, it may undergo other abiotic
transformation processes.
3. Benzo[g,h,i]perylene (191-24-2)
Benzo[g,h,i]perylene will not hydrofyze. It has no hydrolyzable functional group.
4. Benzo[k]fluoranthene (207-08-9)
Benzo[k]fIuoranthene will not hydrofyze. It has no hydrolyzable functional group.
11
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5. Bromobenzene (108-86-1)
Bromobenzene will not hydrolyze to any reasonable extent; however, it may undergo other abiotic
transformation processes.
6. n-Butylbenzene (104-51-8)
n-Butylbenzene will not hydrolyze. It has no hydrolyzable functional group.
7. sec-Butylbenzene (135-98-8)
sec-Butylbenzene will not hydrolyze. It has no hydrolyzable functional group.
8. Carbazole (86-74-8)
Carbazole will not hyctolyze. It has no hydrolyzabie functional group.
-------
9. Crotonaldehyde (4170-30-3)
Crotonaldehyde undergoes a rapid addition of water across the double bond (Michael addition) to
yield 3-hydroxy-l-butanal.
H3C—CH=CH—CH=0
Crotonaldehyde
v
>
h3c—ch—ch2—ch=o
3-Hydroxy-1 -butanal
10. Dibenzofuran (132-64-9)
Dibenzofuran will not hydroiyze. It has no hydrolyzable functional group.
13
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11. 1,2,3,4,6,7,8-heptachlorodibenzofuran (67562-39-4)
1,2,3,4,6,7,8-Heptachlorodibenzofuran will not hydrolyze to any reasonable extent; however, it
may undergo other abiotic transformation processes.
cr y cr ci
ci ci
12. 1,2,3,4,7,8,9-Heptachlorodibenzofuran (55673-89-7)
1,2,3,4,7,8,9-Heptachlorodibenzoftiran win not hydrolyze to any reasonable extent; however, it
may undergo other abiotic transformation processes.
13. 1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin (35822-46-9)
1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin will not hydrolyze to any reasonable extent; however,
it may undergo other abiotic transformation processes.
CI
14
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14. 1,2,3,4,7,8-Hexachlorodibenzofuran (70648-26-9)
1,2,3,4,7,8-Hexachlorodibenzofuran will not hydrolyze to any reasonable extent; however, it may
undergo other abiotic transformation processes.
CI
15. 1,2,3,6,7,8-Hexachlorodibenzofuran (57117-44-9)
1,2,3,6,7,8-HexachIorodIbenzofuran will not hydrolyze to any reasonable extent; however, it may
undergo other abiotic transformation processes.
16. 1,2,3,7,8,9-Hexachlorodibenzofuran (72918-21-9)
1,2,3,7,8,9-HexachIorodibenzofiiran will not hydrolyze to any reasonable extent; however, it may
undergo other abiotic transformation processes.
15
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17. 2,3,4,6,7,8-Hexachlorodibenzofuran (60851-34-5)
2,3,4,6,7,8-Hexachlorodibenzofiiran will not hydrolyze to any reasonable extent; however, it
undergo other abiotic transformation processes.
18. 2-Hexanone (591-78-6)
2-Hexanone will not hydrolyze. It has no hydrolyzable functional group.
ff
ch3—c—ch2—ch2 CH2—ch3
19. Indene (95-13-6)
Indene will not hydrolyze. It has no hydrolyzable functional group.
20. p-lsopropyltoluene (99-87-6)
p-lsopropyltoluene will not hydrolyze. It has no hydrolyzable functional group.
CH3
CH3—CH—CH3
16
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21. 2-Methylchrysene (3351-32-4)
2-Methyfchrysene will not hydroiyze. It has no hydrolyzable functional group.
22. 1-Methylnaphthalene (90-12-0)
1 -Methylnaphthalene will not hydroiyze. It has no hydrolyzable functional group.
CH3
23. 2-MethyInaphthaIene (91-57-6)
2-Methyfnaphthalene will not hydroiyze. It has no hydrolyzable functional group.
24. Phenanthrene (85-01-8)
Phenanthrene will not hydroiyze. It has no hydrolyzable functional group.
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25. n-Propylbenzene (103-65-1)
n-Propylbenzene will not hydrolyze. It has no hydrolyzable functional group.
ch2—ch2-ch3
26. 1,2,4-Trimethylbenzene (95-63-6)
1,2,4-TrimethyIbenzene will not hydrolyze. It has no hydrolyzable functional group.
CH3
ch3
27. 1,3,5-Trimethylbenzene (108-67-8)
1,3,5-TrimethyIbenzene will not hydrolyze. It has no hydrolyzable functional group.
18
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<—_—.— .
TECHNICAL REPORT DATA
(Please read Instructions on the reverse before comp
1. REPORT NOIpA/600/R_95/03g 2.
4. TITLE AND SUBTITLE
ENVIRONMENTAL FATE CONSTANTS"FOR ADDITIONAL 27 ORGANIC
CHEMICALS UNDER CONSIDERATION FOR EPA'S HAZARDOUS
WASTE IDENTIFICATION PROJECTS
5. REPORT DATE
March 1995
6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
Heinz P. Kollig
8. PERFORMING ORGANIZATION HEPORT NO.
9. PERFORMING ORGANIZATION NAME AND ADDRESS
Environmental Research Laboratory
U.S. Environmental Protection Agency
Athens GA 30605
10. PROGRAM ELEMENT NO.
CC5D1A
11. CONTRACT/GRANT NO.
12. SPONSORING AGENCY NAME AND ADDRESS
Environmental Research Laboratory - Athens, GA
Office of Research and Development
U.S. Environmental Protection Agency
Athens GA 30605-2700
13. TYPE OF REPORT AND PERIOD COVERED
14. SPONSORING AGENCY CODE
EPA/600/01
15. SUPPLEMENTARY NOTES
16. ABSTRACT
Under Section 301 of the Resource Conservation and Recovery Act (RCRA), EPA's
Office of Solid Waste is in the process of identifying chemicals to be considered in
projects called the Hazardous Waste Identification Projects. A previous publication
(3PA/600/R-93/132) addressed 189 organics in these projects. The environmental fate
constants and chemical hydrolysis of an additional 27 organic chemicals are addressed
in this report. Sorption coefficients are presented in terms of the octanol/water
partition coefficient and the organic-carbon-normalized sedinent/water partition
coefficient. The ionization constant is given when this process affects sorption in
the environmental pH range. Additionally, values for aqueous solubility, Henry's
law constant, vapor pressure, and diffusivity are reported.
17. KEY WORDS AND DOCUMENT ANALYSIS
a. DESCRIPTORS
b. IDENTIFIERS/OPEN ENDEDTERMS
c. COSATI Field/Group
Hydrolysis
Hazardous waste
Sorption coefficients
Fate constants
18. DISTRIBUTION STATEMENT
RELEASE TO PUBLIC
19. SECURITY CLASS (This Hi-port J
UNCLASSIFIED
21. NO. OF PAGES
24
20. SECURITY CLASS (This page/
UNCLASSIFIED
22. PRICE
CPA Pwm 2220.1 (Rev. 4-77) previous edition is obsolete j_
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