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EPA Document# EPA-740-D-24-030
December 2024
Office of Chemical Safety and
Pollution Prevention
xvEPA
United States
Environmental Protection Agency
Draft Chemistry, Fate, and Transport Assessment for Butyl
Benzyl Phthalate (1,2-Benzenedicarboxylic acid, 1-butyl 2-
(phenylmethyl) ester) (BBP)
Technical Support Document for the Draft Risk Evaluation
CASRN: 85-68-7
December 2024
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TABLE OF CONTENTS
ACKNOWLEDGEMENTS 6
SUMMARY 7
1 INTRODUCTION 9
2 APPROACH AND METHODOLOGY FOR PHYSICAL AND CHEMICAL
PROPERTY ASSESSMENT 9
2.1 Selected Physical and Chemical Property Values for BBP 9
2.2 Endpoint Assessments 10
2.2.1 Melting Point 10
2.2.2 Boiling Point 10
2.2.3 Density 11
2.2.4 Vapor Pressure 11
2.2.5 Vapor Density 11
2.2.6 Water Solubility 11
2.2.7 Octanol:Water Partition Coefficient (log Kow) 12
2.2.8 Octanol:Air Partition Coefficient (log Koa) 12
2.2.9 Henry's Law Constant 12
2.2.10 Flash Point 12
2.2.11 Autoflammability 13
2.2.12 Viscosity 13
2.3 Strengths, Limitations, Assumptions, and Key Sources of Uncertainty for the Physical and
Chemical Property Assessment 13
3 APPROACH AND METHODOLOGY FOR FATE AND TRANSPORT ASSESSMENT 14
3.1 Collection, Screening, and Integration of Fate and Transport Data for BBP 14
3.2 Tier I Analysis Methods 15
3.3 Tier II Analysis Methods, and EPI Suite™ Model Inputs and Settings 16
4 TRANSFORMATION PROCESSES 17
4.1 Biodegradation 17
4.2 Hydrolysis 23
4.3 Photolysis 24
5 PARTITIONING, TIER I, AND TIER II ANALYSES 25
5.1 Identification and Selection of Partition Coefficients for BBP 25
5.2 Results of Tier I Partitioning Analysis 27
5.3 Results of Tier II Partitioning Analysis and Fugacity Modeling 28
6 MEDIA ASSESSMENTS 29
6.1 Air and Atmosphere 30
6.1.1 Ambient Air 30
6.1.2 Indoor Air and Dust 30
6.2 Aquatic Environments 31
6.2.1 Surface Water 31
6.2.2 Sediments 33
6.3 Terrestrial Environments 34
6.3.1 Soil 34
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68 6.3.2 Biosolids 34
69 6.3.3 Landfills 35
70 6.3.4 Groundwater 37
71 7 PERSISTENCE POTENTIAL OF BBP 37
72 7.1 Destruction and Removal Efficiency 37
73 7.2 Removal in Wastewater Treatment 37
74 7.3 Removal in Drinking Water Treatment 39
75 8 BIO ACCUMULATION OF BBP 40
76 9 OVERALL FATE AND TRANSPORT OF BBP 42
77 10 WEIGHT OF THE SCIENTIFIC EVIDENCE AND CONCLUSIONS ON THE FATE
78 AND TRANSPORT OF BBP 43
79 10.1 Strengths, Limitations, Assumptions, and Key Sources of Uncertainty for the Fate and
80 Transport Assessment 43
81 REFERENCES 45
82 APPENDICES 56
83 Appendix A COMPLETE RESULTS FROM EPI Suite™ MODELING 56
84
85
86 LIST OF TABLES
87 Table 2-1. Selected Physical and Chemical Property Values for BBP 9
88 Table 3-1. Environmental Fate and Transport Properties of BBP 14
89 Table 4-1. Summary of Empirical BBP Biodegradation Information 21
90 Table 5-1. Summary of Empirical Log Koc Information for BBP 25
91 Table 5-2. Partition Coefficients Selected for Tier I Partitioning Analysis of BBP 28
92 Table 7-1. Summary of WWTP Removal Information for BBP 39
93 Table 8-1. Summary of Bioaccumulation Information for BBP 41
94
95 LIST OF FIGURES
96 Figure 5-1. EPI Suite™ Level III Fugacity Modeling Graphical Result for BBP 29
97
98 ABBREVIATIONS AND ACRONYMS
99
AS
Activated sludge
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BAF
Bioaccumulation factor
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BBP
Butyl Benzyl Phthalate
102
BCF
Bioconcentration factor
103
BMF
Biomagnification factor
104
BOD
Biological oxygen demand
105
BSAF
Biota-sediment accumulation factor
106
CASRN
Chemical Abstracts Service Registry Number
107
CDR
Chemical Data Reporting
108
CFR
Code of Federal Regulations
109
CTD
Characteristic travel distance
110
DBP
Dibutyl phthalate
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DC HP
Dicyclohexyl phthalate
DEHP
Di-ethylhexyl phthalate
DEP
Diethyl phthalate
DIBP
Di-isobutyl phthalate
DINP
Di-isononyl phthalate
DMP
Dimethyl phthalate
DMR
Discharge Monitoring Reports
DMSO
Dimethylsulfoxide
DPE
Diphthalate ester
DRE
Destruction and removal efficiency
dw
Dry weight
EC50
Effect concentration at which 50 percent of test organisms exhibit an effect
ECHA
European Chemicals Agency
ECJRC
European Commission, Joint Research Centre
EPI
Estimation Programs Interface
FR
Federal register
HC1
Hydrochloric acid
HLC
Henry's Law constant
HOAc
Acetic acid
JNU
Jawaharlal Nehru University
Km
Maximum specific uptake rate (Monod kinetics)
LC50
Lethal concentration at which 50 percent of test organisms die
LOD
Limit of detection
Log Kaw
Logarithmic air:water partition coefficient
Log Koa
Logarithmic octanokair partition coefficient
Log Koc
Logarithmic organic carbon:water partition coefficient
Log Kow
Logarithmic octanol:water partition coefficient
Log Ksw
Logarithmic soil:water partition coefficient
LOQ
Limit of quantification
LRTP
Long-range transport potential
MDL
Method detection limit
NaOAc
Sodium acetate
NaOH
Sodium hydroxide
ND
Non-detect/not detected
NITE
National Institute of Technology and Evaluation
OC
Organic carbon
OCSPP
Office of Chemical Safety and Pollution Prevention
OECD
Organisation for Economic Co-operation and Development
OPPT
Office of Pollution Prevention and Toxics
OH
Hydroxyl radical
PAE
Phthalate acid ester
POTW
Publicly owned treatment works
PVB
Polyvinyl butyral
PVC
polyvinyl chloride
QSPR
Quantitative structure-property relationship
SCAS
semi-continuous activated sludge system
SPM
Suspended particulate matter
SRC
Syracuse Research Corporation
tl/2
Half-life
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160
TCLP
Toxicity Characteristic Leaching Procedure
161
TMF
Trophic magnification factor
162
TOC
Total organic carbon
163
TRI
Toxics Release Inventory
164
TSCA
Toxic Substances Control Act
165
UV
Ultraviolet
166
WW
Wet weight
167
WWTP
Wastewater treatment plant
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ACKNOWLEDGEMENTS
This technical support document was developed by the United States Environmental Protection Agency
(U.S. EPA or the Agency), Office of Chemical Safety and Pollution Prevention (OCSPP), Office of
Pollution Prevention and Toxics (OPPT).
Acknowledgements
The Assessment Team gratefully acknowledges the participation, review, and input from EPA OPPT
and OSCPP senior managers and science advisors. The Agency is also grateful for assistance from the
following EPA contractors for the preparation of this draft technical support document: ICF (Contract
Nos. 68HERC19D0003 and 68HERD22A0001, and 68HERC23D0007), and SRC, Inc. (Contract No.
68HERH19D0022).
As part of an intra-agency review, this technical support document was provided to multiple EPA
Program Offices for review. Comments were submitted by EPA's Office of Research and Development
(ORD).
Docket
Supporting information can be found in the public docket, Docket ID EPA-HQ-OPPT-2018-0501.
Disclaimer
Reference herein to any specific commercial products, process, or service by trade name, trademark,
manufacturer, or otherwise does not constitute or imply its endorsement, recommendation, or favoring
by the United States Government.
Authors: Collin Beachum (Management Lead), Brandall Ingle-Carlson (Assessment Lead), Olivia
Wrightwood (Physical Chemistry, and Fate Assessment Lead), Ryan Sullivan (Physical Chemistry and
Fate Assessment Discipline Lead), Aderonke Adegbule, Andrew Middleton, Juan Bezares-Cruz
(Physical Chemistry and Fate Assessors)
Contributors: Marcella Card, Maggie Clark, Daniel DePasquale, Patricia Fontenot, Lauren Gates,
Grant Goedjen, Roger Kim, Jason Wight
Technical Support: Hillary Hollinger, S. Xiah Kragie
This draft technical support document was reviewed and cleared for release by OPPT and OCSPP
leadership.
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205 SUMMARY
206
BBP - Environmental Fate and Transport (Section 2.2):
This technical support document is in support of the TSC A Draft Risk Evaluation for Butyl Benzyl
Phthalate (BBP) (U.S. EPA. 2025). EPA gathered and evaluated physical and chemical property
information as well as fate and transport information according to the process described in the Draft
Risk Evaluation for Butyl Benzyl Phthalate (BBP) - Systematic Review Protocol (U.S. EPA. 2024e).
During the evaluation of butyl benzyl phthalate (BBP), EPA considered both measured and estimated
data and information. Selected physical and chemical data are summarized in Table 2-1. Information
on the full, extracted physical and chemical property data set is available in the file Draft Risk
Evaluation for Butyl Benzyl Phthalate (BBP) - Systematic Review Supplemental File: Data Quality
Evaluation and Data Extraction Information for Physical and Chemical Properties (U.S. EPA.
2024b). The fate and transport data collected are presented throughout Sections 3 through 8 with
accompanying analyses. Information on the full, extracted fate and transport data set is available in
the file Draft Data Quality Evaluation and Data Extraction Information for Environmental Fate and
Transport for Butyl Benzyl Phthalate (BBP) (U.S. EPA. 2024a). The key points of this document are
provided below.
BBP - Physical Chemistry: Key Points
• Under standard environmental conditions, BBP is a clear, oily liquid with a melting point
around -35 °C (NLM. 2015).
• BBP has a water solubility of 2.69 mg/L at 25 °C (NLM. 2015; Howard et al.. 1985) and a log
Kow of 4.73 (NLM. 2015).
• With a vapor pressure of 8.25x 10~6 mmHg at 25 °C (NLM. 2015; Howard et al.. 1985) and a
boiling point of 370 °C (NLM. 2015; Havnes. 2014a). BBP will exist in both vapor phase and
sorbed to particulates in the atmosphere.
• The selected Henry's Law constant for BBP is 7.61 x 10~7 atmm3/mol at 25 °C (Elsevier.
2019). indicating that volatilization from water is not expected to be a dominant process for
BBP.
BBP - Environmental Fate and Transport: Key Points
Given the consistent results from numerous high-quality studies, there is robust evidence that BBP:
• will partition to organic carbon and particulate matter in air, with a measured vapor pressure
of 8.25x 10~6 mmHg and a log Koa of 9.2 (Sections 5 and 6.1);
• is likely to be found in indoor air and dust (Section 6);
• will readily biodegrade in aerobic, aqueous environments including during wastewater
treatment (Section 7.2) and surface waters (Section 4.1). Biodegradation rates of BBP in
water will depend on the microbial community, organic matter presence, and previous
exposure/adaptation to BBP.
• BBP will readily biodegrade in aerobic surface sediments (Section 4.1), however fractions
bound to sediment are expected to present longer persistence until release by a shift in
equilibrium;
• is expected to biodegrade under anaerobic conditions, generally more slowly than under
aerobic conditions. As with aerobic degradation, anaerobic biodegradation rates of BBP are
likely to depend on the microbial community, organic matter presence, and previous
exposure/adaptation to BBP (Sections 4.1 and 6.2.2).
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• BBP will be removed in wastewater treatment plants at 40 to 90 percent, with sorption to
sludge and biodegradation both being significant removal mechanisms (Section 7.2);
• presents low bioconcentration potential in fish; however, monophthalates (monobutyl and
monobenzyl phthalate) exhibited slightly elevated bioconcentration potential as compared to
parent BBP (Section 8);
• will not biomagnify and will exhibit trophic dilution in aquatic species (Section 8);
• is likely to be present in biosolids, though is unlikely to be persistent or mobile in soils after
land application of biosolids given its Koc, water solubility, and biodegradation processes;
and
• will not exhibit substantial mobility to groundwater from soil or landfill environments and
will tend to stay sorbed to solid organics in soil media and landfills.
As a result of limited empirical studies identified, there is moderate confidence that BBP:
• will not persist in air, and will undergo indirect photodegradation by reacting with hydroxyl
radicals in the atmosphere with a half-life of 1.13 to 1.15 days (Section 4.3);
• will be removed in conventional drinking water treatment systems (Section 7.3);
• may show persistence in surface water, sediment, and soil proximal to continuous points of
release, in cases where the release rate exceeds the rate of biodegradation (Sections 3.2, 5);
• does not biodegrade in anaerobic environments (Section 5.2, 5.3);
• will undergo aerobic and anaerobic biodegradation in soil and landfill media under conducive
conditions (Sections 6.3.1 and 6.3.3, respectively);
• is expected to have a low tendency to migrate to groundwater, however explicit groundwater
fate studies are limited for BBP; and
• will not undergo appreciable hydrolysis in aqueous systems, as biodegradation is expected to
occur much more rapidly under most conditions (Sections 4.1 and 4.2); however, hydrolysis
may be important in deep, acidic, thermophilic landfill environments (Section 6.3.3).
As a result of no empirical studies identified, there is a slight confidence that BBP:
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1 INTRODUCTION
Benzyl butyl phthalate (BBP) is a medium-chain, ester phthalate that is used in several processing and
industrial applications. Phthalate distribution in the environment is primarily due to anthropogenic
activities. BBP may be found in the natural environment due to releases from activities related to
industrial uses, and also through the widespread use in industrial and commercial materials, for instance
as a filler or plasticizer in construction materials and automotive parts.
BBP exists as a clear, oily liquid at ambient temperature and pressure (NLM. 2015) with a melting point
of-35 °C, and a boiling point of 370 °C (NLM. 2015). With a vapor pressure of 8.25x10^ mmHg at 25
°C (NLM. 2015; Howard et al.. 1985) and a Henry's Law constant of 7,61 /10 7 atmm3/mol at 25 °C
(Elsevier. 2019). BBP is expected to have slight volatility from water, and be present in both free and
sorbed phase in the atmosphere. Though BBP has been shown to be readily biodegradable under several
relevant environmental conditions in water, soil, and sediment media (Section 4.1), its tendency to sorb
strongly to organic phases may contribute to some persistence, especially in areas receiving constant
releases that may outpace the rate of biodegradation (see Section 5). Because BBP is used in a wide
range of applications, it may be found in various environmental media including air (Section 6.1),
surface water (Section 6.2.1), sediment (Section 6.2.2), soil (Section 6.3.1), and biota (Section 8).
2 APPROACH AND METHODOLOGY FOR PHYSICAL AND
CHEMICAL PROPERTY ASSESSMENT
EPA gathered and evaluated physical and chemical property data and information according to the
process described in the Draft Systematic Review Protocol Supporting TSCA Risk Evaluations for
Chemical Substances (U.S. EPA. 2021) (also referred to as the "2021 Draft Systematic Review
Protocol"). During the evaluation of BBP, EPA considered both measured and estimated physical and
chemical property data/information. However, EPA selected empirical and measured data over modeled
data as much as possible to improve the confidence in the endpoints. For some physical and chemical
properties, there are multiple high-confidence values available for selection that were identified. The
majority of the preliminarily selected data were collected under standard environmental conditions (i.e.,
20-25 °C and 760 mmHg). For values of endpoints for which no empirical data were identified (i.e., the
octanol/air partition coefficient, log Koa), estimations from EPI Suite™ version 4.11 are reported (U.S.
EPA. 2017). The full output from EPI Suite™ modeling is provided in Appendix A. With one exception,
only studies with an overall quality data determination of "High" were selected for use in selecting the
representative physical and chemical properties of BBP, as a high volume of data was available. The
endpoint for which EPA did not identify any data with an overall quality data determination of "High" is
autoflammability, discussed in Section 2.2.11.
2.1 Selected Physical and Chemical Property Values for BBP
Table 2-1. Selected Physical and Chemical Property Values for BBP
Property
Selected Value(s)'1
Reference(s)
Data Quality
Rating
Molecular formula
C19H20O4
Molecular weight
312.37 g/mol
Physical form
Clear, Liquid Oil; Slight Odor
NLM (2015)
High
Melting point
-35 °C
NLM (2015)
High
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Property
Selected Value(s)'1
Reference(s)
Data Quality
Rating
Boiling point
370 °C
NLM (2015) citina
(Havnes. 2014a)
High
Density
1.119 g/cm3
NLM (2015) citina
(Havnes. 2014a)
High
Vapor pressure
8.25E-06 mmHg at 25 °C
NLM (2015) citina
(Howard et al.. 1985)
High
Vapor density
10.8 (air = 1)
NLM (2015)
High
Water solubility
2.69 mg/L at 25 °C
NLM (2015) citina Howard
et al. (1985)
High
Octanol: water partition
coefficient (log Kow)
4.73
NLM (2015)
High
Octanol:air partition coefficient
(log Koa)
9.2b
U.S. EPA (2017)
High
Henry's Law constant (HLC)
7.61E-07 atm m7mol at 25
°C
Elsevier (2019)
High
Flash point
vo
o
O
NLM (2015)
High
Autoflammability
233 to 425 °C
NTP (1997): ECIRC
(2008): ECIRC (2007):
NCBI (2020)
Medium
Viscosity
55 cP
Elsevier (2019)
High
" Measured unless otherwise noted.
b Information was estimated using EPI Suite™ U.S. EPA (2017).
2.2 Endpoint Assessments
2.2.1 Melting Point
Melting point informs the chemical's physical state, environmental fate and transport, as well as the
chemical's potential bioavailability. The EPA extracted and evaluated nine melting point data for BBP,
five of which were evaluated to be high-quality. All five high-quality sources reported a BBP melting
point of-35 °C (Elsevier. 2019: DOE. 2016: NLM. 2015: ECHA. 2012: IARC. 1999). As is the case
with most of the physical or chemical property endpoint data presented in this document, several of
these data sources were found to cross-reference various other sources, largely well-established
chemical property reference texts (e.g., CRC Handbook of Chemistry and Physics (Havnes. 2014a).
Handbook of Environmental Data on Organic Chemicals (Verschueren. 1996)). and it is possible that the
reference texts provide the same value without providing information on the primary study. Therefore,
some data may have been double counted in this set, as highlighted in Section 2.3. EPA selected a
melting point value of-35 °C (NLM. 2015) as a representative melting point for BBP, as it was reported
by all of the overall high-quality data sources. The identified value is consistent with the value proposed
in the Final Scope for the Risk Evaluation of BBP (U.S. EPA. 2020).
2.2.2 Boiling Point
Boiling point informs the chemical's physical state, environmental fate and transport, as well as the
chemical's potential bioavailability. The EPA extracted and evaluated 18 data containing BBP boiling
point information, seven of which were evaluated to be high-quality. The high-quality sources reported
BBP boiling points ranging from 250 to 370 °C (Elsevier. 2019: U.S. EPA. 2019a: DOE. 2016: NLM.
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2015; Havnes. 2014a; Park and Sheehan. 2000; IARC. 1999). The mean and mode of the high-quality
reported boiling point values are 353 and 370 °C, respectively. EPA selected a boiling point value of
370 °C, as this value is the mode and was reported by six of the seven identified overall high-quality
data sources (U.S. EPA. 2019a; DOE. 2016; NLM. 2015; Havnes. 2014a; Park and Sheehan. 2000;
IARC. 1999). As with other physical and chemical property endpoints, cross-referencing in several
secondary sources was observed and therefore, some data may have been double counted in this set, as
highlighted in Section 2.3. The identified value is consistent with the value proposed in the Final Scope
for the Risk Evaluation ofBBP (U.S. EPA. 2020).
2.2.3 Density
The EPA extracted and evaluated 16 density data for BBP, seven of which were evaluated to be high-
quality. The sources reporting overall high-quality data yielded BBP density values between 1.100 and
1.119 g/cm3 (Elsevier. 2019; DOE. 2016; NLM. 2015; Havnes. 2014a; ECHA. 2012; Park and Sheehan.
2000; IARC. 1999). There is good agreement among the identified density values for BBP, with no
obvious outliers. The mean of the reported high-quality density values is 1.114 g/cm3. EPA selected a
density of 1.119 g/cm3 at 25 °C (NLM. 2015; Havnes. 2014a) to closely represent the mean of the
density values obtained from the available high-quality data sources. Additionally, the value of 1.119
g/cm3 was reported twice within data pool of high-quality data sources and is consistent with the value
proposed in the Final Scope for the Risk Evaluation ofBBP (U.S. EPA. 2020).
2.2.4 Vapor Pressure
Vapor pressure indicates the chemical's potential to volatilize, fugitive emissions and other releases to
the atmosphere, undergo long range transport, and undergo specific exposure pathways. The EPA
extracted and evaluated 22 vapor pressure data for BBP. Eleven vapor pressure values from ten sources
were identified and evaluated as overall high-quality data. These data points were further filtered to only
include the nine vapor pressure values collected between 20 and 25 °C, of which the reported BBP vapor
pressure values range from 1.50x10^ to 9.10xl0~5 mmHg (Elsevier. 2019; DOE. 2016; NLM. 2015;
Gobble et al„ 2014; Howard et al„ 1985). The mean vapor pressure of the deduplicated, reported
experimental values collected at 25 °C (i.e., reported in (Elsevier. 2019; DOE. 2016; Gobble et al„ 2014;
Howard et al„ 1985)) is 2.73xl0~5 mmHg. EPA selected the experimentally derived vapor pressure
value of 8.25x 10-6 mmHg at 25 °C (U.S. EPA. 2019a; DOE. 2016; NLM. 2015). as this was the mode
of the overall high-quality data collected between 20 and 25 °C (three of the nine values). The identified
value is consistent with the value proposed in the Final Scope for the Risk Evaluation ofBBP (U.S.
EPA. 2020).
2.2.5 Vapor Density
The EPA identified three vapor density data for BBP, two of which were rated as overall high-quality
(NLM. 2015; IARC. 1999). EPA selected a vapor density value of 10.8 (air =1) because it was reported
by both data sources with high-quality data. The identified value is consistent with the value proposed in
the Final Scope for the Risk Evaluation ofBBP (U.S. EPA. 2020).
2.2.6 Water Solubility
Water solubility informs many endpoints not only within the realm of fate and transport of BBP in the
environment, but also when modelling for industrial process, engineering, human and ecological hazard,
and exposure assessments. The EPA extracted and evaluated 24 water solubility data for BBP. Fourteen
data points from twelve sources were evaluated as overall high-quality data. These sources reported
water solubility values from 0.67 to 2.8 mg/L (Elsevier. 2019; U.S. EPA. 2019a; EC/HC. 2017; NLM.
2015; ECHA. 2012; EC/HC. 2000; Mueller and Klein. 1992; Analytical Bio-Chemistrv Labs. 1986;
Howard et al„ 1985; Boese. 1984; SRC. 1983b; Hollifield. 1979). These data sources employed different
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analytical methods and experimental temperatures that may have contributed to the variance of
identified water solubilities; the mean water solubility value of BBP at relevant environmental
temperatures (20 to 25 °C) is 2.26 mg/L (Elsevier. 2019; NLM. 2015; ECHA. 2012; EC/HC. 2000;
Analytical Bio-Chemistry Labs. 1986; Howard et al.. 1985; SRC. 1983b; Hollifield. 1979). A water
solubility of 2.69 mg/L was selected as the environmentally relevant water solubility of BBP, as it was
reported by several sources (U.S. EPA. 2019b; EC/HC. 2017; NLM. 2015; Mueller and Klein. 1992;
Howard et al.. 1985; SRC. 1983b). The identified value is consistent with the value proposed in the
Final Scope for the Risk Evaluation of BBP (U.S. EPA. 2020).
2.2.7 OctanolrWater Partition Coefficient (log Kow)
The octanol:water partition coefficient (log Kow) quantifies how a chemical will partition between
octanol (a common surrogate for biological lipids and other hydrophobic media) and water. In the
absence of adequate empirical data, log Kow is often used to predict a chemical's tendency to partition
to biota (i.e., bioconcentration), as well as for the estimation of other properties including water
solubility, soil adsorption, and bioavailability. The EPA extracted and evaluated 18 data sources
containing BBP Kow information. Eleven Kow values from ten sources were evaluated as overall high-
quality. These sources reported BBP log Kow values ranging from 3.57 to 4.91, with a mean of 4.70
(Elsevier. 2019; Ishak et al.. 2019; U.S. EPA. 2019a; EC/HC. 2017; NLM. 2015; ECHA. 2012; EC/HC.
2000; IARC. 1999; Mueller and Klein. 1992; Howard et al.. 1985). EPA selected an experimental log
Kow value of 4.73 (NLM. 2015) for use in this risk evaluation as it lies very close to the mean of the
overall high-quality data identified. The identified value is consistent with the value proposed in the
Final Scope for the Risk Evaluation of BBP (U.S. EPA. 2020).
2.2.8 Octanol:Air Partition Coefficient (log Kqa)
No data were identified reporting empirical octanol:air (log Koa) values for BBP. EPA leveraged the
KOAWIN™ model as part of EPI Suite™ to obtain an estimated log Koa value of 9.27 (U.S. EPA.
2017). One modeled value was identified during systematic review and was rated as a medium-quality:
using a quantitative structure-property relationship (QSPR) model, Lu (2009) estimated a log Koa value
of 8.98, in good agreement with the value of 9.27 modeled using KOAWIN™. For the purposes of this
risk evaluation, EPA selected the EPI Suite™ log Koa value of 9.27. See Section 5.1 for additional
information on the partitioning coefficients for BBP.
2.2.9 Henry's Law Constant
The Henry's Law constant (HLC) provides an indication of a chemical's volatility from water and gives
an indication of environmental partitioning, potential removal during wastewater treatment via aeration
stripping, and possible routes of environmental exposure. The EPA extracted and evaluated seven HLC
values for BBP. Three of the sources were identified and evaluated as overall high-quality data sources,
of which the HLC range is 7.61 xl0~7 to 2.02xl0~6 atmm3/mol, with a mean of 1.36xl0~6 atmm3/mol
(Elsevier. 2019; Cousins and Mackav. 2000; EC/HC. 2000). One overall high-quality data source
reported a BBP HLC value calculated using QSAR methodology (Cousins and Mackav. 2000). while a
second study did not specify the derivation method (EC/HC. 2000). EPA selected the experimental HLC
value of 7.61 x 10~7 atmm3/mol at 25 °C for use in this risk evaluation, as it is the only identified high-
quality value obtained empirically (Elsevier. 2019). The identified value is consistent with the value
proposed in the Final Scope for the Risk Evaluation of BBP (U.S. EPA. 2020).
2.2.10 Flash Point
The EPA extracted and evaluated four data sources containing seven BBP flash point temperatures, one
data point of which was evaluated as overall high-quality. EPA selected the high-quality flash point
value of 199 °C (NLM. 2015) for use in this draft risk evaluation. This high-quality, selected value
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replaces the medium-quality, proposed flash point range of 110 to 113 °C retrieved from ChemSpider
(R.SC, 2019) highlighted in the Final Scope for the Risk Evaluation ofBBP (U.S. EPA. 2020). In
addition to the improved data-quality rating of the newly selected flash point value, the flash point
temperature range suggested in the scope are no longer available in ChemSpider and therefore there is
low confidence in their validity.
2.2.11 Autoflammability
A value for the autoflammability ofBBP was not identified in the initial data review for the Final Scope
for the Risk Evaluation ofBBP (U.S. EPA. 2020). The systematic review process conducted since
identified four overall medium-quality data sources reporting five autoflammability values ranging from
233 to 425 °C (NCBI. 2020; ECJRC. 2008. 2007; NTP. 1997). Because the data reporting in the
identified studies were lacking critical detail on experimental and analytical methodologies, EPA
moderate confidence in the exact autoflammability values. However, considering the range of
autoflammability values identified, EPA has high confidence that BBP is not expected to autoignite
under normal environmental conditions.
2.2.12 Viscosity
The EPA extracted and evaluated one data source containing BBP viscosity information that was
evaluated as an overall high-quality data source (Elsevier. 2019). EPA selected the value reported by
Elsevier (2019) of 55 cP at 20 °C for BBP's viscosity for this draft risk evaluation. The identified value
is consistent with the value proposed in the Final Scope for the Risk Evaluation ofBBP (U.S. EPA.
2020).
2.3 Strengths, Limitations, Assumptions, and Key Sources of Uncertainty
for the Physical and Chemical Property Assessment
The physical and chemical property data presented in this document were the product of a systematic
review of reasonably available information. The data analyses, therefore, consider only a subset of all
existing physical and chemical data, not an exhaustive acquisition of all potential data. The
representative physical and chemical property values were selected based on professional judgement and
the overall data quality ranking of the associated references. Where systematic review did not identify
any data sources for a given physical or chemical property, Estimation Programs Interface (EPI) Suite™
(U.S. EPA. 2017) was leveraged to provide a model estimate of the parameter.
Due to cross-referencing between many of the databases identified and assessed through the systematic
review process, there is potential for data from one primary source to be collected multiple times
resulting in duplication within the data set. This duplication should be considered as a potential source
of uncertainty in the data analyses. Nonetheless, the number of data sources identified for a given
property contributes to the relative confidence in a selected value: when numerous data sources are
collected and considered in the selection of a property value (e.g., log Kow values for BBP), there is
more robust confidence in that selected value as compared to a selected value from a property with one
or few data sources (e.g., viscosity ofBBP). Confidence in a selected value is especially robust when
numerous independent sources agree on a small range of values for a given property.
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3 APPROACH AND METHODOLOGY FOR FATE AND
TRANSPORT ASSESSMENT
3.1 Collection, Screening, and Integration of Fate and Transport Data for
BBP
Reasonably available environmental fate data—including biotic and abiotic biodegradation rates,
removal during wastewater treatment, volatilization from lakes and rivers, and organic carbon:water
partition coefficient (log Koc)—are the parameters used in the current draft risk evaluation. In assessing
the environmental fate and transport of BBP, EPA considered the full range of results from extracted
data that were rated high-quality. For endpoints for which few or no high-quality studies were identified
during systematic review (e.g., indirect photolysis in air, biodegradation in soil), medium-rated studies
were also considered. Information on the full extracted data set is available in the file Draft Data Quality
Evaluation and Data Extraction Information for Environmental Fate and Transport for Butyl Benzyl
Phthalate (BBP) (U.S. EPA. 2024a). Endpoints for which few or no empirical data were identified
during systematic review were estimated using the models comprising EPI Suite™ (U.S. EPA. 2017). a
predictive tool for physical and chemical properties and environmental fate estimation. The full output
from EPI Suite™ modeling is provided in Appendix A.
A brief description of evidence integration for fate and transport is available in the Draft Systematic
Review Protocol for Butyl Benzyl Phthalate (U.S. EPA. 2024e). Table 3-1 provides a summary of the
selected data that EPA considered while assessing the environmental fate of BBP and were updated after
publication of Final Scope of the Risk Evaluation for Butyl Benzyl Phthalate (BBP) CASRN 84-69-5
(U.S. EPA. 2020) with additional information identified through the systematic review process. Sections
4 and 5 summarize the findings and provide the rationale for selecting these environmental fate
characteristics.
Table 3-1. Environment
al Fate and Transport Properties of BBP
Property or Endpoint
Value(s)
Reference
Data Quality
Rating
Direct Photolysis
(air)
Contains chromophores that absorb light at
greater than 290 nm wavelength
NCBI (2020)
NA
Direct Photolysis
(water)
l%/28 days; aqueous solutions of test
material were exposed to ca. 251 hours of
sunshine in tightly sealed quartz test tubes.
Monsanto (1983f)
High
Indirect Photolysis
(air)
ti/2 = 23.3 hours (based on »OH reaction rate
constant of 1.10E-11 cm3/mol sec and
1.5E06 OH/cm3)'1
U.S. EPA (2017)
High
ti/2 =18 hours (based on »OH reaction rate
constant of 1.1049E—11 cm7mol sec and
1.5E06 OH/cm3; calculation)
Peterson and Staples
(2003)
Medium
Hydrolysis
ti 2 at pH 7: 1.4 years at 25 °C (estimated)'1
ti/2 at pH 8:51 days at 25 °C (estimated)'1
U.S. EPA (2017)
High
Biodegradation
Readily biodegradable
See Table 4-1 for complete information
on considered biodegradation studies
Wastewater Treatment
Expected removal between 40 and 90%
See Table 7-1 for complete information
on considered WWTP studies
Bioconcentration Factor
Low bioconcentration potential
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Property or Endpoint
Value(s)
„ e Data Quality
Reference „ /.
Rating
Bioaccumulation Factor
Low bioconcentration potential
See Table 8-1 for complete information
on considered bioconcentration and
bioaccumulation studies
Biota Sediment
Accumulation Factor
Some sediment bioaccumulation potential
Trophic Magnification
Factor
Trophic dilution
Organic Carbon:Water
Partition Coefficient
(Log Koc)
Mean soil/sediment log Koc = 4.86 L/kg
(n = 4 studies)
See for Table 5-1 complete information
on considered log Koc studies
° Values were estimated using EPI Suite™ U.S. EPA (2017).
EPA also analyzed transformation processes of BBP, as presented in Section 4. Understanding the
transformation behavior of BBP informs which pathways are expected to be dominant or contributing to
persistence in different compartments. Transformation half4ives were collected and compared between
and within transformation mechanism types (i.e., photolysis, biodegradation, hydrolysis). For BBP,
biodegradation is expected to be the dominant transformation process in all media except for air. In
instances where biodegradation half4ives were not available from the identified sources (as noted in
Table 4-1), a first-order approximation of the biodegradation half-life was calculated from the fraction
of BBP remaining and the study duration, using the first-order rate equation:
Equation 3-1
t In (2)
— ln (/bbp_ remain)/t
Where:
tXj2 = half-life (hours)
fBBP_remain = fraction of BBP remaining at time t
t = study duration (hours)
This first-order approximation was conducted to directly compare studies across the same units (i.e.,
half-life). Note that half-lives derived using Equation 3-1 are estimates calculated from a single
timepoint rather than a full kinetic study. While this strategy provides an estimate of BBP's
biodegradation kinetics, there is greater uncertainty in these calculated half-lives as compared to those
directly observed or derived from a full kinetic biodegradation data set. Regardless, the half-lives
derived using Equation 3-1 are based on data from data evaluated as overall high-quality and are in
relative agreement with those directly extracted from a data source and/or derived with a full kinetic
dataset. Therefore, the overall conclusions (see Section 10) about the biodegradability of BBP are
unaffected by this exercise.
3.2 Tier I Analysis Methods
EPA conducted a Tier I assessment to identify the environmental compartments (i.e., water, sediment,
biosolids, soil, groundwater, air) of major and minor relevance to the fate and transport of BBP as
indicated by its partitioning behavior. Selected values for BBP's log Kow, log Koc, log Koa, and log
Kaw were used to identify in which media BBP is most likely to be located as estimated by BBP's
equilibrium partitioning behavior among surface water, soil, sediment, and air media. See Section 5.1
for explanation of the selected partition coefficients. Results of the Tier I analysis are provided in
Section 5.2.
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3.3 Tier II Analysis Methods, and EPI Suite™ Model Inputs and Settings
While Tier I analyses describe BBP's behavior under equilibrium conditions, Tier II analysis
incorporates transformation estimates of BBP in the environment (from Section 4), as well as employs a
steady-state model to emulate various emission scenarios. The approach described by Mackav et al.
(1996) using the Level III Fugacity model in EPI Suite™ (LEV3EPI™) was used for this Tier II analysis.
LEV3EPI™ is described as a steady-state, non-equilibrium model that uses a chemical's physical and
chemical properties and transformation rates to predict partitioning of the chemical between
environmental compartments and its persistence in a model environment (U.S. EPA. 2017). A Tier II
analysis involves reviewing environmental release information for BBP to determine whether further
assessment is warranted for each environmental medium.
Current environmental release data for BBP were not available from the Toxics Release Inventory
(TRI); however, between 1,000,000 and less than 20,000,000 pounds of CASRN 85-68-7 were produced
annually from 2016 to 2019 for use in commercial products, chemical substances or mixtures sold to
consumers, or at industrial sites according to production data from the Chemical Data Reporting (CDR)
2020 reporting period. The production volume for BBP in 2015 was between 10 and 50 million pounds
and decreased to between one million and less than 20 million pounds in 2019 based on the 2020 CDR
data {U.S. EPA, 2020, 6275311}. Environmental release data from the Discharge Monitoring Reports
(DMRs) were available for BBP from 2021 to 2023. The total annual releases from watershed discharge
were 101, 2,897, and 245 pounds in 2021, 2022, and 2023, respectively.
BBP is used as a plastic in polyvinyl chloride (PVC) flooring and other materials, in paints and coatings,
in adhesive formulations and in printing inks (EC/HC. 2000). BBP is not chemically bound to the
polymer matrix and can migrate from the surface of polymer products (ECJRC. 2007). Therefore, BBP
can easily be released to the environment from polymer-based products during their use, and disposal.
Additionally, BBP may be released to the environment from disposal of wastewater, and liquid and solid
wastes. After undergoing wastewater treatment processes, the disposal of wastewater or liquid wastes
results in effluent discharge to water and land application of biosolids, which would lead to media
specific evaluations. Releases from landfills and incinerators will occur from the disposal of liquid and
solid wastes and warrants media specific evaluations.
The above-discussed environmental release information is also useful for fugacity modeling because the
emission rates will predict a real-time percent mass distribution for each environmental medium.
However, limited complete emission data was identified for use in BBP fugacity modeling. Therefore, to
assess a range of possible emission distributions, EPA modeled four emission scenarios: equal releases
to water, air, and soil; water releases only; air releases only; and soil releases only.
As biodegradation is expected to be the dominant transformation pathway for BBP (see Section 4), the
persistence half-lives used in the LEV3EPI™ fugacity model were based on the biodegradation of BBP
rather than other transformation pathways. While empirical biodegradation data are available,
biodegradation half-lives modeled under standard environmental conditions were also considered:
empirical biodegradation half-lives collected employing natural inoculums may only be applicable to
locations with the same set of environmental conditions. Modeled values can provide half-life estimates
based on a set of standard conditions allowing rates between media types to be more readily compared.
BBP's readily biodegradable designation was used to model environmental half-lives in all media for
use in the LEV3EPI™ fugacity model: half-lives indicative of readily biodegradable substances of 5
days (120 hours) in water, 10 days (240 hours) in soil, and 45 days (1,080 hours) in sediment were
selected for this fugacity model (U.S. EPA. 2017). Compared to the empirical biodegradation evidence
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presented in Section 4.1, the estimated values represent the conservative (i.e., more persistent) end of the
range of identified primary biodegradation half4ife values (Section 4.1) from high- and medium-quality
studies. The use of this more conservative approach is reasonable with the understanding that fugacity
modeling provides an estimate of BBP's partitioning in the environment rather than exact media
concentration numbers. The use of the estimated half-lives did not change conclusions on which
environmental pathways will be important for BBP. A half-life of 0.97 days was selected for the air
compartment as it was the most conservative estimate for BBP persistence with respect to indirect
photolysis (see Section 4.3) (U.S. EPA. 2017). The LEV3EPI™ results were consistent with
environmental monitoring data. Further discussion of BBP partitioning can be found in Section 5.
The following additional inputs parameters were used for the Level III Fugacity model in EPI Suite™:
• Melting Point = -35.00 °C (see Section 2.2.1 and Table 2-1)
• Boiling Point = 370 °C (see Section 2.2.2 and Table 2-1)
• Vapor Pressure = 8.25><10~6 mm Hg (see Section 2.2.4 and Table 2-1)
• Water Solubility = 2.69 mg/L (see Section 2.2.6 and Table 2-1)
• Log Kow = 4.73 (see Section 2.2.7 and Table 2-1)
• Log Koc = 4.86 L/kg (see Section 5, Table 5-1, and Table 5-2)
• HLC = 7.61xl0~7atm-m3/mol (see Section 2.2.9 and Table 2-1)
• SMILES: 0=C(0Cc(ccccl)cl)c(c(ccc2)C(=0)0CCCC)c2
4 TRANSFORMATION PROCESSES
BBP released to the environment will transform to the monoesters (monobutyl and monobenzyl
phthalate) via abiotic processes such as photolysis (direct and indirect) and hydrolysis of the carboxylic
acid ester group (U.S. EPA. 2023). Biodegradation pathways for the phthalates consist of primary
biodegradation from phthalate diesters to phthalate monoesters, then to phthalic acid, and ultimately
biodegradation of phthalic acid to form CO2 and/or CH4 (Huang et al„ 2013: Wolfe et al.. 1980). Both
monobutyl phthalate and monobenzyl phthalate are both more soluble and more bioavailable than BBP.
The monoesters are also expected to undergo biodegradation more rapidly than the diester form. EPA
considered BBP transformation products and degradants qualitatively. However, due to their lack of
persistence, the products and degradants are not expected to contribute appreciably to risk, thus EPA is
not considering them further in this RE. Both biotic and abiotic routes of degradation for BBP are
described in the following sections.
4.1 Biodegradation
BBP is considered readily biodegradable in most aquatic and terrestrial environments. As mentioned
above, BBP typically undergoes enzymatic hydrolysis of the carboxylic acid ester groups during
biodegradation to form monobutyl and monobenzyl phthalates as primary degradation products. It is
important to note that the biodegradation potential of BBP in the environment is not only inherent to
BBP's structure, biodegradation rates are also influenced by temperature, oxygen availability, presence
of co- or intermediate substrates, organic carbon concentration, and concentration of the chemical of
interest. Such environmental conditions also influence the composition of microbial communities, and
therefore the biodegradation rate and pathway in that environment.
EPA extracted and evaluated 59 data points for biodegradation in water, 19 data points for
biodegradation in sediment, and two data points for biodegradation in soil during systematic review.
However, for the purposes of the following biodegradation analysis, EPA considered studies that were
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given an overall high-quality ranking. In cases of limited or no high-quality studies (e.g., soil
biodegradation), medium-quality studies were also considered. The studies summarized in the following
subsections are also presented in Table 4-1.
Aerobic Biodegradation in Water
Both screening studies and simulation/microcosm studies were considered in the assessment of aerobic
biodegradation of BBP. Screening studies typically employ media or inoculums that contain high
concentrations of competent (i.e., able to degrade BBP) microbes and may result in faster
biodegradation rates as compared to studies employing natural media. Microcosm studies are typically
designed to simulate natural environmental conditions and may provide more accurate information on
how a chemical will behave in the environment as compared to screening tests. Regardless, variability in
biodegradation rates is inherent to the microbial community.
Studies conducted in sludge media or employing sludge or activated sludge (AS) inoculums indicate that
BBP can be considered as readily biodegradable. Desai et al. (1990) reported a maximum specific
uptake rate (Km, based on Monod kinetics) of 12.8 day"1 for BBP degradation in flasks containing
synthetic medium and microbial inoculum from a municipal wastewater treatment plant, measured via
O2 consumption. In similar systems analyzed for oxygen consumption using biological oxygen demand
(BOD) analysis, Fuiita et al. (2005) reported half-lives ranging from 3 to 7 days (unspecified whether
primary or ultimate), and primary biodegradation half-lives ranging from 2 to 3 days based on parent
compound loss. In a static BOD test system containing yeast and a settled domestic wastewater
inoculum, Tabak et al. (1981) reported 100 percent primary degradation of both 5 and 10 mg/L of BBP
over 7 days. In a 24-hour, semi-continuous activated sludge system (SCAS), Saeger and Tucker (1976)
measured 93±6 percent degradation of parent BBP when dosed with 5 mg-BBP per cycle, and greater
than 99 percent degradation when dosed with 200 mg-BBP per cycle. Identified products in the SCAS
system, monobutyl phthalate and phthalic acid, were also reported to be rapidly degraded. The same
study measured CO2 evolution of 95.86 percent of theoretical yield in BOD dilution water with a pooled
activated sludge inoculum (Saeger and Tucker. 1976). Several of these studies, however, used nominal
test BBP concentrations above its reported solubility, as discussed below.
Biodegradation studies employing natural media also indicate that BBP will biodegrade rapidly in
aqueous environments. Adams et al. (1988) studied the biodegradation of 14C-BBP in freshwater
microcosms operated under semi-steady state containing sediment and water from the Illinois River. The
authors found the parent BBP concentration was degraded to 50 percent of starting concentrations (10
and 100 |ig/L) by day 3 of the study, and to between 1 and 20 percent of starting concentration by day 5.
As reported in the study, kinetic data was used to calculate first-order aqueous primary degradation half-
lives of 1.5 days in the 10 |ig/L microcosms, and 2.2 days in the 100 |ig/L microcosms. Ultimate
biodegradation observed from 14C02 evolution was 10.8±1.8 percent over the 30-day experiment. Note
that Adams et al. (1988) and Monsanto (1986a) present the same experiment and are therefore replicates
of one another. A similar study reported a primary biodegradation half-life of 1.1 to 1.4 days, and an
ultimate biodegradation half-life of 4.7 days for 14C-BBP in a lake sediment and water microcosm with
media from Lake 34 in the Busch Wildlife Area (St. Charles County, MO) (Monsanto. 1983c). In a river
die-away study employing Mississippi River water, half-lives of 0.5 and 1.4 days were observed at BBP
test concentrations of 50.3 and 503 |ig/L, respectively (Monsanto. 1983d).
Fuiita et al. (2005) reported slightly longer half-lives for both the primary and ultimate biodegradation of
BBP in synthetic river water inoculated with microbes collected from natural surface waters: primary
biodegradation half-life ranges of 4 to 6 days and 5 to 6 days were observed with river microbe and
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pond microbe inoculums, respectively (from Figure 1). One hundred percent loss of parent BBP was
attained at 14 days for all inoculums (Fuiita et al.. 2005).
It is expected that both the composition of microbial communities as well as their exposure to PAEs in
the environment will influence the observed biodegradation rates of BBP. This was demonstrated by
SRC (1983a) when comparing two different inoculum acclimation procedures in shake flask
biodegradation screening tests: when using an inoculum derived from mixed liquor, soil, and raw
wastewater influent and let to acclimate to a mixture of 14 PAEs, degradation rates of 42.5 and 77.7
percent over 28 days were observed for ultimate and primary biodegradation of BBP, respectively.
However, when the inoculum was left to acclimate to BBP only, the BBP biodegradation rates increased
to 87.5 and 97.2 percent over 28 days for ultimate and primary biodegradation, respectively (SRC.
1983a). This suggests a certain level of enzymatic specificity required to accommodate the benzyl
moiety of BBP, therefore microbes adapted to other PAEs may not be as well-adapted to BBP.
Several studies employing both natural media/inoculums and activated sludge/wastewater inoculums
used nominal BBP test concentrations above BBP's selected water solubility of 2.69 mg/L (Howard et
al.. 1985). The concentration levels of these studies are: 5 and 10 mg/L (Tabak et al.. 1981): 20 mg/L
(Shelton et al.. 1984: Monsanto. 1983e; SRC. 1983a: Michigan State University. 1981: Saeger and
Tucker. 1976): 10 and 40 mg-TOC/L (Fuiita et al.. 2005): and 100 mg/L (Desai et al.. 1990). In such
instances, BBP distribution in the aqueous system may be heterogeneous and may associate with
dissolved and/or particulate matter in the test systems that are typically absent in water solubility tests,
artificially inflating the apparent aqueous BBP concentration. Because of this, the apparent
biodegradation may be an underestimation of the actual biodegradation rate, as BBP that may be
associated to dissolved and particulate organic matter is typically considered to be unavailable for
microbial biodegradation. This is also true in sediment environments, as discussed in the following
subsection. Additionally, at concentrations above the limit of water solubility, test compound
homogeneity may not be achieved, therefore biodegradation may become limited by dispersion
processes. This was investigated by Monsanto (1983e) who found the BBP biodegradation rate in a
shake-flask test to increase when 20 mg-BBP/L was tested with dispersion aids of both DMSO as well
as florisil mesh.
While the biodegradation rate of BBP in water will depend on the microbial community, organic matter
presence, and adaptation to BBP, the evidence suggests that the biodegradation rate of BBP in water will
be on the order of days to weeks.
Biodegradation in Sediment
Biodegradation in sediments may occur aerobically and anaerobically. Top layers of the sediment
compartment can have enough dissolved oxygen to support aerobic and/or facultative microbial
processes, especially in surface waters that experience appreciable exchange with the atmosphere as well
as mixing within the water column down to the sediment layer. As oxygen is consumed in the top layers
of sediment, the deeper sediments tend to harbor anaerobic conditions. Sediment microcosm studies may
yield variable biodegradation rates as a result of differing microbial populations, ratios of
sediment/water used, as well as experimental temperature.
Two high-quality studies reported aerobic biodegradation rates collected in aqueous test systems
containing natural sediments. The first study collected top sediment and water from False Creek, a
marine inlet in Vancouver, British Columbia, and found BBP to biodegrade with a primary
biodegradation half-life of 2.9 days (Kickham et al.. 2012). Monophthalate ester products all yielded
half-lives of less than or equal to 3.0 days (Kickham et al.. 2012). The second study sampled sediments
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from the Zhonggang, Keya, Erren, Gaoping, Donggang and Danshui Rivers in Taiwan, and monitored
the primary biodegradation of a mixture of phthalates in vessels along with a defined nutrient medium
(Yuan et al.. 2002). Yuan et al. (2002) reported a mean half4ife of 3.1 days for BBP, with a range of 0.5
to 10.5 days.
Anaerobic degradation of BBP in sediments is expected to occur more slowly than aerobic degradation.
Two high-quality studies reported anaerobic biodegradation rates collected in natural sediment test
systems. Yuan et al. (2002) tested sediments from the above listed Taiwanese rivers under anaerobic
conditions and found a mean primary biodegradation half4ife of 19.3 days, with a range of 9.9 to 25.5
days. In three microcosm types run in duplicate containing pond sediments from Ue, Zuion, and Piano
ponds (Osaka, Japan) and mineral salt medium, primary BBP biodegradation half4ives were shorter at
1.5, 2.2, and 1.8 days, respectively (Lertsirisopon et al.. 2006). However, there is more uncertainty
associated with the experiments reported by Lertsirisopon et al. (2006). as extraction recoveries and the
use of control vessels were not reported.
Because of BBP's strong sorption affinity for sediments, biodegradation processes will compete with
adsorption processes in sediments. Kickham et al. (2012) describes these interactions with a set of
governing equations for the relationships between biodegradation, hydrophobicity (represented by log
Koc and log Kow), and organic carbon of a sediment system. For more hydrophobic compounds such as
BBP, the apparent biodegradation rate (as measured) may be lower than the inherent or expected
biodegradation rate, as adsorption to organic carbon in suspended and settled solids will reduce the
fraction of BBP available to microbes for degradation (i.e., the freely dissolved fraction). Among the
studied diphthalate esters (DPEs), apparent biodegradation rate decreased with increasing log Kow
(Kickham et al.. 2012). For aqueous environments not receiving continuous releases of BBP, the fraction
of BBP available for biodegradation will increase as the sorption equilibrium shifts towards aqueous
phase, re-releasing sorbed fractions of BBP to pore water and water at the water column/sediment
boundary.
While the biodegradation rate of BBP in sediments will depend on the microbial community, organic
carbon content, and oxygen content, the evidence suggests that the biodegradation rate of BBP in
sediment will be on the order of weeks to months.
Biodegradation in Soil
No high-quality data sources were identified reporting biodegradation data for BBP in soil. Two
medium-quality data sources were extracted for the aerobic biodegradation of BBP in soil, both of which
were cited in the European Union Risk Assessment Report for BBP (ECJRC. 2007). The first study
observed biodegradation half-lives of 59 and 178 days in soil mixed with two concentrations of wood
preserving sludge. It was noted that the wood preserving sludge may have been toxic to the microbes,
therefore the obtained half-lives are likely overestimations of what may occur in natural soils. The
second study reported primary biodegradation rates of 75 percent over 7 days, and 65 percent over 30
days in artificial compost media. European Commission, Joint Research Centre (2007) noted that the
primary authors did not provide information on the discrepancies between the two reported rates.
Because neither of the identified studies are representative of natural soil media, EPA opted to use a
half-life of 10 days in soil, estimated based on BBP's readily biodegradable designation (U.S. EPA.
2017). This half-life was used during fugacity modeling (see Sections 3.2 and 5).
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699 Table 4-1. Summary of Empirical BBP Biodegradation Information
Overall
Environmental
Conditions
Endpoint Value
Half-life (days)"
Reference
Data
Quality
Ranking
100% in 14 days (28 °C) for all
test conditions in artificial river
Sludge inoculum: 2-3
days; river inoculum:
Fuiita et al. (2005)
High
water containing sludge, pond,
and river inoculums; inoculum
4-6 days; and pond
inoculum: 5-6 days
acclimation not reported; test
compound concentration(s) 10
and 40 mg-TOC/L
(from Figure 1)
93±6% and >99% BBP removal
6.2 and 3.6 hours6
Sacecrand Tucker
High
at 5 mg and 20 mg/cycle feed
rates, respectively, in SCAS
reactor with domestic sewage;
HRT 24 hours; acclimation not
(1976)
reported
Aerobic primary
biodegradation in
water
97.2% in 28 days (22 °C) in a
shake flask test; inoculum
acclimated BBP alone; test
5.43 days6
SRC (1983a)
High
(screening studies)
compound concentration(s) 20
mg/L
77.7% in 28 days (22 °C) in a
shake flask test; inoculum
12.9 days6
SRC (1983a)
High
acclimated with mixture of 14
PAEs; test compound
concentration(s) 20 mg/L
100% in 7 days (25 °C) in all test
NA
Tabak et al. (1981)
High
vessels of a static flask test in
BOD dilution water containing
yeast and a settled domestic
wastewater inoculum; test
compound concentration(s) 5 and
10 mg/L
95.86% in 14 days (ThC02
evolution; room temperature) in
BOD dilution water with sewage
3.05 days6
Saeaer and Tucker
(1976)
High
sludge inoculum prepared using
the Bunch-Chalmers die-away
Aerobic ultimate
procedure; test compound
concentration(s) 20 mg/L
biodegradation in
water
87.5% in 28 days (22 °C) in shake
flask CO2 evolution test;
9.33 days6
SRC (1983a)
High
(screening studies)
inoculum acclimated BBP alone;
test compound concentration(s)
20 mg/L
42.5% in 28 days (22 °C) in shake
flask CO2 evolution test;
35.1 days6
SRC (1983a)
High
inoculum acclimated with mixture
of 14 PAEs; test compound
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Environmental
Conditions
Endpoint Value
Half-life (days)"
Reference
Overall
Data
Quality
Ranking
concentration(s) 20 mg/L
60-80%, 35-70%, and 30-50% in
14 days (O2 consumption; 28 °C)
with sludge, river, and pond
inoculums, respectively, in
artificial river water; inoculum
acclimation not reported; test
compound concentration(s) 10
and 40 mg-TOC/L
Sludge inoculum: 3-7
days; river inoculum: 4
to >14 days; and pond
inoculum: 4 to >14
days (from Figure 2)
Fuiita et al. (2005)
High
Monod kinetic parameters: Km
12.8 d"1; Y 0.61; (im 6.95 d ^Ks
36.25 mg/L; from 6 nutrient
solutions containing municipal
AS; inoculum acclimation not
reported; test compound
concentration(s) 100 mg/L
NA
Desai et al. (1990)
High
50% 14C-BBP degradation at 3
days, and 80-99% at 5 days (20
°C) in microcosm operated semi-
continuously, with water and
sediment from Illinois River; test
compound concentration(s) 10
and 100 j^ig/L
1.5 days (10 j^ig/L test
conc.); and 2.2 days
(100 (ig/L test conc.)
Monsanto (1986a);
Adams et al.
(1988)
High
Aerobic
biodegradation in
freshwater
microcosms
Half-lives reported for 14C-BBP
in core chamber microcosms with
water and sediment from Lake 34
Busch Wildlife Area; test
compound concentration(s) 10
and 1,000 (ig/L
Primary half-life: < 2
days; ultimate half-
life: 4.7 days
Monsanto (1983c)
High
BBP degraded to ND, and 5.5
(ig/L over 5 days (24 °C) at lower
and higher test concentrations,
respectively in river water die-
away test, with water and
sediment from Mississippi River;
test compound concentration(s)
50.3 and 503 (ig/L
0.5 (50.3 (ig/L); and
1.4 days (503 (ig/L) in
active river water
Monsanto (1983d)
High
Aerobic
biodegradation in
sediment
Primary BBP biodegradation rate
of 0.24±0.07 d1 (14 °C) in aPAE
mixture in surface sediment,
water and sediment from False
Creek, Vancouver; test compound
concentration(s) 70 f_ig/g ww
2.9 days
Kickham et al.
(2012)
High
Half-lives reported for primary
BBP biodegradation in a PAE
mixture in river sediment in
serum bottles with nutrient
0.5 - 10.5 days (mean
3.1 days)
Yuan et al. (2002)
High
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Environmental
Conditions
Endpoint Value
Half-life (days)"
Reference
Overall
Data
Quality
Ranking
medium; sediments collected
from Zhonggang, Keya, Erren,
Gaoping, Donggang, and Danshui
Rivers, Taiwan; test compound
concentration(s) 5 f_ig/g
Anaerobic
biodegradation in
sediment
Half-lives reported for primary
BBP biodegradation pond
sediments in mineral salt
medium; sediments collected
from Ue, Zuion, and Piano Ponds,
Osaka, Japan; test compound
concentration(s) explicitly
reported, though were below
water solubility
Ue Pond: 1.5 days
(1.3-day lag time);
Zuion Pond: 2.2 days
(no lag); Piano Pond:
1.8 days (1.4-day lag
time)
Lertsirisopon et al.
(2006)
High
Half-lives reported for primary
BBP biodegradation in a PAE
mixture in river sediment in
serum bottles with nutrient
medium; sediments collected
from Zhonggang, Keya, Erren,
Gaoping, Donggang, and Danshui
Rivers, Taiwan; test compound
concentration(s) 5 f_ig/g
9.9 - 25.5 days (mean
19.3 days)
Yuan et al. (2002)
High
Aerobic
biodegradation in
soil
Half-lives reported for primary
BBP biodegradation in soil and
wood preserving sludge; toxicity
effects possible; test compound
concentration(s) 117 mg/kg
59 and 178 days
ECJRC (2008)
Medium
75% in 7 days and 65% in 30
days primary biodegradation in
artificial compost; test compound
concentration(s) 500 f_ig/g
3.5 and 19.8 days6
ECJRC (2008)
Medium
Anaerobic
biodegradation in
soil
No empirical data identified
" Half-life values reported by authors unless otherwise noted.
^Half-life values calculated assuming first-order kinetics using Equation 3-1. Note that half-lives derived using Equation
3-1 are estimates calculated from a single timepoint rather than a full kinetic study. Therefore, there is greater uncertainty in
these calculated half-lives as compared to those directly observed or derived from a full kinetic biodegradation data set.
700
701 4.2 Hydrolysis
702 Only one experimental data source describing the hydrolysis of BBP in artificial river water was
703 identified by the systematic review process (Lertsirisopon et al.. 2009). Lertsirisopon et al. (2009)
704 reported hydrolysis half-lives between 390 and 1,500 days determined in artificial river water at 10 °C
705 and pH values ranging from 5 to 9, with more rapid hydrolysis occurring under both acidic and basic
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conditions as compared to neutral conditions. However, this study was given an overall study quality
rating of low because the authors employed a BBP concentration of 137.4 mg/L, well over its water
solubility of 2.69 mg/L (NLM. 2015; Howard et al.. 1985). Due to this, EPA deemed the study invalid as
it is unclear whether homogeneity of BBP was maintained in the test solution for the duration of the
hydrolysis assessment. Nonetheless, hydrolysis is not expected to be an important transformation
pathway in aqueous systems, as biodegradation is expected to occur rapidly in most conditions (see
Section 4.1). This was demonstrated by Monsanto (1983d) who reported a half4ife of 115 days in an
abiotic (sterilized) control microcosm containing natural Mississippi River water as compared to half-
lives of 0.5 and 1.4 days in the biologically active microcosms.
To increase confidence in the contribution of hydrolysis to BBP's fate in aqueous systems, EPA
leveraged the HYDROWIN™ module in EPI Suite™ that predicts hydrolysis transformation rates of
chemicals based on a chemical's structure. HYDROWIN™ predicts that BBP will hydrolyze with a
half4ife of 1.4 years at pH 7 and 25 °C, and a half4ife of 51 days at pH 8 and 25 °C (U.S. EPA. 2017).
When compared to other degradation pathways, hydrolysis is not expected to be a significant source of
BBP degradation under typical environmental conditions.
4.3 Photolysis
Regarding photolysis in the atmosphere, one medium-rated data source was extracted during
systematic review (Peterson and Staples. 2003). For photolysis in water, nine data points from eight
sources were identified and extracted, two data points of which were rated high-quality (Xu et al..
2009; Monsanto. 1983f).
Photolysis in the Atmosphere
BBP contains chromophores that absorb light at greater than 290 nm wavelength (NCBI. 2020).
therefore, direct photodegradation of BBP may occur in the atmosphere. However, it is expected that
the atmospheric fate and persistence of BBP will be primarily driven by indirect photolysis mediated
by photolytically induced hydroxyl radicals ( OH). Peterson and Staples (2003). a medium-rated data
source, reported an atmospheric half-life of 18 hours for BBP based on an OH rate constant of
1.1049xl0~u cm3 /molecule-second, and assuming l.OxlO6 OH/cm3; to compare with the predicted
photolysis half-life estimated by AEROWIN™ (discussed below), EPA calculated a half-life of 11.6
hours with the slightly greater radical concentration of 1.5><106 OH/cm3. This data was rated as
medium-quality because it was a secondary source citing property estimation information (Peterson
and Staples. 2003).
To increase confidence in the persistence analysis of BBP in the atmosphere, EPA leveraged the
AEROWIN™ module in EPI Suite™ that predicts atmospheric transformation rates of chemicals
based on a chemical's structure and predicted interactions with ozone and common radical-forming
species in the atmosphere {i.e., OH and NO3). AEROWIN™ predicts that BBP will undergo OH-
mediated indirect photolysis in the atmosphere with a half-life of 0.97 days (23.28 hours) based on an
estimated OH reaction rate constant of 1,10/10 " cm3 /molecule-second, and assuming a 12-hour day
with 1.5xlO6 OH/cm3 (U.S. EPA. 2017).
Photolysis in Surface Water
One of the two high-quality data sources extracted with information on the photolysis rate of BBP in
aqueous systems reported the indirect photolysis of BBP in a titanium(IV) dioxide (Ti02)/UV
photocatalysis system (16 black/blue fluorescent UV lamps operating at 250 nm, 8-watt maximum
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output) (Xu et al.. 2009). Because the TiCh/UV system is not representative of natural surface waters,
this study was neither selected for use to represent the photolytic fate of BBP, nor for use in the fate
analysis of BBP in aquatic environments. The second high-quality data source reported a direct
photolysis rate of 1 percent over 28 days (total natural sunlight irradiation time approximately 251
hours) at a BBP test concentration of 1.051 mg/L in purified (MilliQ) water (Monsanto. 1983f).
Because biodegradation is expected to be the primary transformation process driving BBP's fate in
aqueous systems (see Section 4.1), EPA did not further consider photolysis in water in its fate analysis.
5 PARTITIONING, TIER I, AND TIER II ANALYSES
5.1 Identification and Selection of Partition Coefficients for BBP
The log Kow value used for BBP in the present Tier I analysis was the same selected value as discussed
in Section 2.2.7 and extracted from (NLM. 2015). No data were identified reporting empirical
octanol:air (log Koa) values for BBP. EPA leveraged the KOAWIN™model as part of EPI Suite™ to
obtain an estimated log Koa value of 9.27 (U.S. EPA. 2017).
Two data sources reported modeled (estimated) values for the air:water partition coefficient. Lu (2009)
developed a QSPR model for the prediction of partitioning coefficients for a set of 53 phthalates,
including BBP. A log Kaw of-3.76 was predicted for BBP, indicating a strong affinity for aqueous
phase over vapor phase. The same study also estimated a log Koa value of 8.98, in good agreement with
the value of 9.27 modeled using KOAWIN™, as discussed above. The second study estimated a log
Kaw of -4.08 using the three-solubility approach, calculating Kaw, Koa. and Kow from ratios of
"apparent-solubilities" (concentrations) of phthalates in air, water, and octanol and their relationships
(regression analysis) to respective molar volumes (Cousins and Mackav. 2000). The same method
predicted a log Kow of 4.70, and a log Koa of 8.78, in good agreement with the selected empirical log
Kow (4.73; (NLM. 2015)) and estimated log Koa (9.27, (U.S. EPA. 2017)) for BBP, respectively. These
estimated log Kaw values are also consistent with the magnitude of the selected HLC for BBP of
7.61 xl0~7 atmm3/mol, indicating a slight possibility of volatilization from wet surfaces (Elsevier. 2019)
(see Section 2.2.8).
Table 5-1. Summary of Empirical Log Koc Information for BBP
Measurement
Conditions
Endpoint Value
Reference
Overall Data
Quality
Ranking
Organic Carbon:Water
Partition Coefficient
(Log Koc)
(soil)
Log Koc: 3.38, 3.43, 3.46, and 3.52 L/kg
in Spinks soil, and 4.01 in Drummer soil
(mean = 3.56) tested with MilliQ water;
soil mean %OC: 2.9%
Monsanto (1983b)
High
Log Koc: 4.23 L/kg with composite soil
from Broome County, NY; soil mean
%OC: 1.59%
Russell and Mcduffie
(1986)
High
Organic Carbon:Water
Partition Coefficient
(Log Koc)
(sediment)
Log Koc: 5.74, 5.76, 5.78, 5.79, and 5.81
L/kg (mean = 5.78 L/kg) with five
marine sediment samples from Victoria
Harbor, Hong Kong, and artificial
saltwater mixtures; pH = 7.5; sediment
mean%OC: 1.66%
Xu and Li (2009)
High
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Measurement
Conditions
Endpoint Value
Reference
Overall Data
Quality
Ranking
Log Koc: 5.52±0.17 and 6.21±0.17 L/kg
(mean = 5.87 L/kg) determined with
glass fiber filtration and Cis disk
adsorption, respectively, in marine
sediment and water samples from False
Creek Harbor, Vancouver; sediment
mean %OC: 2.80%
Mackintosh et al. (2006)
High
Organic Carbon:Water
Partition Coefficient
(Log Koc)
(suspended particulate
matter [SPM])
Log Koc: 5.09, 5.19, and 5.91 L/kg
(mean = 5.40 L/kg) with freshwater
suspended particulate matter and water
samples from 20 sites in Lake Chaohu,
China collected in summer, autumn and
winter, respectively; suspended
particulate matter measured but not
reported
He et al. (2019)
High
Log Koc: 6.38±0.29 and 6.75±0.25 L/kg
(mean = 6.57 L/kg) determined with
glass fiber filtration and Cis disk
adsorption, respectively, with marine
suspended particulate matter and water
samples from False Creek, Vancouver;
suspended particulate matter mean %OC:
40.0%
Mackintosh et al. (2006)
High
Sixteen data sources were identified reporting adsorption information for BBP from both field and
laboratory studies, ten of which were given an overall quality rating of high. EPA considered only the
high-quality adsorption studies when performing the present partitioning analysis. Five of the ten
identified high-quality studies were excluded from use in this analysis due to the following reasons: 1)
irrelevant system to inform environmental partitioning (landfill media; (Asakura et al.. 2007)); 2) low
detection frequency and therefore statistical power from field measurements (Vitali et al.. 1997); 3) no
organic carbon measurements taken of solid phase (Li et al.. 2016b; Li et al.. 2015); 4) test method did
not yield a Koc or equivalent sorption value that may be used in subsequent modeling (Savvad et al..
2017).
Three of the remaining high-quality studies reported BBP adsorption coefficients in aqueous systems.
He et al. (2019) reported log Koc values for BBP adsorption to suspended particulate matter (SPM) in
freshwater Lake Chaohu, China, over three seasons. The authors reported mean log Koc values
2.09±0.67 L/g in summer samples, 2.19±0.87 L/g in autumn samples, and 2.91±0.82 L/g in winter
samples. Authors note that lack of means to verify consistent equilibrium among the dispersed sampling
sites may have contributed to the obtained measurement variances (He et al.. 2019). However, shifting
of equilibrium due to volatilization is not expected to be relevant for BBP given its low tendency to
volatilize from surface waters, as discussed above.
A similar study investigated the log Koc of BBP associated to both suspended particulates and surface
sediments collected from four locations in False Creek Harbor, Vancouver (Mackintosh et al.. 2006).
The authors distinguished between log Koc values derived using "operational" water concentrations and
"true" freely dissolved water concentrations. The log Koc values for BBP adsorption to suspended
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particulates were reported to be 6.38±0.29 and 6.75±0.25 using operational water concentrations and
true freely dissolved concentrations, respectively (Mackintosh et al.. 2006). The log Koc values for BBP
adsorption to surface sediments were reported to be 5.52±0.17 and 6.21±0.17 using operational water
concentrations and true freely dissolved concentrations, respectively (Mackintosh et al.. 2006). These
results indicate three important patterns: 1) BBP tends to adsorb more readily to suspended solids in the
water column as compared to particulates that settle to the sediment layer, likely due to structural
differences of the particle fractions (e.g., density, surface area) between the two solid phase types; 2) log
Koc values derived using filtration methods prior to extracting the water phase will yield lower log Koc
values which may contribute to underestimations of the tendency of the chemical to remain dissolved in
true aqueous phase, affecting subsequent exposure analyses; and 3) the study yielded greater log Koc
values than determined in the freshwater system by He et al. (2019). evidence that log Koc values of
highly hydrophobic compounds such as BBP are likely to be very sensitive to salinity/salting out effects.
Xu and Li (2009) also reported empirical log Koc values collected representative of marine conditions
with sediments collected from five locations in Victoria Harbor, Hong Kong. The authors investigated
the effects of sediment organic matter content, temperature, and water salinity on the log Koc measured
with the collected sediment and artificial marine water. Xu and Li (2009) observed that equilibrium in
the test systems was reached rapidly, with greater than 59 percent of sorption occuring within the first 30
minutes of the test, and equilibrium reached within 6 hours. The reported Koc ranged from 555 to 640
L/g (mean 598±33 L/g) with unadjusted sediment, temperature, and salinity. Increasing the salinity of
the artificial marine water increased the fraction of BBP adsorbed to the sediments, confirming the
presence of a salting out effect. Temperature was found to be inversely related to Koc (Xu and Li. 2009).
Overall, measured Koc of BBP adsorbed to particulates and sediments in aqueous systems is largely
sensitive to the salinity of the system, as well as extraction/filtration techniques which may differ
depending on the composition of suspended particulates in the water column.
Two high-quality data sources were identified reporting log Koc values for BBP measured with soil. In a
screening adsorption test, Monsanto (1983b) measured adsorption coefficients of 70, 57, 79, and 64 in
Spinks soil, and 350 in Drummer soil when tested with MilliQ water as the aqueous phase. When
normalized to the reported percent organic carbon (%OC) of 2.4 percent in Spinks soil and 3.4 percent
in Drummer soil, these coefficients may be represented as log Koc values of 3.38, 3.43, 3.46, and 3.52
L/kg in Spinks soil, and 4.01 in Drummer soil (overall mean = 3.56). The second soil log Koc value was
measured using a composite soil from Broome County, NY 4.23 L/kg measured in a flask test system
(Russell and Mcduffie. 1986). While lower in magnitude, the log Koc values collected using soil media
agree well with those collected with sediment media indicating that BBP will sorb appreciably to
organic matter in solid media. The greater log Koc values in sediment systems than in soil systems) is
likely due to differences in solid phase composition and organic matter, as well as differences in
aqueous phases used. To represent a range of environmental conditions, the average (log Koc = 4.86
L/kg) of mean study log Koc values collected using soils (Russell and Mcduffie. 1986; Monsanto.
1983b) and sediments (Xu and Li. 2009; Mackintosh et al.. 2006) was used during Tier I and Tier II
analyses, results described below.
5.2 Results of Tier I Partitioning Analysis
To be able to understand and predict the behaviors and effects of BBP in the environment, a Tier I
analysis will determine whether an environmental compartment (e.g., air, water, etc.) will accumulate
BBP at concentrations that may lead to risk (i.e., major compartment) or are unlikely to result in risk
(i.e., minor compartment). The first step in identifying the major and minor compartments for BBP is to
consider partitioning values which indicate the potential for a substance to favor one compartment over
another. The selected values to represent the partitioning behavior of BBP among media types are
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presented in Table 5-2.
Table 5-2. Partition Coefficients Selectet
for Tier I Partitioning Analysis of BBP
Partition
Coefficient
Value"
Log Value
Source(s)
Predominant
Phase
Octanol: Water
(Kow)
5.37E04
4.73
NLM (2015)
Organic Carbon
Organic
Carbon:Water
(Koc)
7.24E04
4.86
Average of mean study values (n = 4) reported
in soil (Russell and Mcduffie. 1986;
Monsanto. 1983b) and sediment media (Xu
and Li, 2009; Mackintosh et al., 2006)
Organic Carbon
Octanol: Air
(Koa)
1.85E09
9.27
KOAWIN™ U.S. EPA (2017)
Organic Carbon
AirWater
(Kaw)
1.2E-04
-3.92
Average of values (n = 2) from Cousins and
Mackav (2000) and Lu (2009)
Water
" Measured unless otherwise noted.
Based on the magnitude of log Koc and log Koa values identified for BBP, BBP will favor organic
carbon over water or air. Because organic carbon is present in soil, biosolids, and sediment, they all are
considered major compartments for BBP.
BBP is a liquid at environmental temperatures with a melting point of -35°C (NLM. 2015) and a vapor
pressure of 8.25x 10-6 mm Hg at 25 °C (Howard et al.. 1985). Based on the magnitude of its vapor
pressure, BBP will exist predominantly in the particulate phase with potential to exist in the vapor
(gaseous) phase in the atmosphere based on the measured vapor pressure. The octanol:air coefficient
(K OA ) indicates that BBP will favor the organic carbon present in airborne particles. Based on its
physical and chemical properties and short half4ife in the atmosphere (ti/2 = 0.97 days), BBP was
assumed to not be persistent in the air. The AEROWIN™ module in EPI Suite™ estimates that a fraction
of BBP could be sorbed to airborne particulates and these particulates may be resistant to atmospheric
oxidation. Monitoring studies have detected BBP in ambient air, settled house dust, indoor air samples
and in indoor particulate phase air samples (Kubwabo et al.. 2013; Wang et al.. 2013; ECJRC. 2007;
EC/HC. 2000).
The air:water partitioning coefficient (KAw) indicates that BBP will favor water over air. With a water
solubility of 2.69 mg/L at 25 °C, BBP is expected to be slightly soluble in water (Howard et al.. 1985).
BBP in water will partition to suspended organic material present in the water column based on BBP's
low water solubility and high partition coefficients to organic matter. In addition, total seawater sample
concentrations of BBP measured in False Creek ranged from 2 to 6 ng/L; the freely dissolved fraction
concentrations ranged from 0.97 to 3.28 ng/L and the suspended particulate fraction concentration
ranged from 1,250 to 5,650 ng/g dry weight (dw) (Mackintosh et al.. 2006).
5.3 Results of Tier II Partitioning Analysis and Fugacity Modeling
The approach described by Mackav et al. (1996) using the Level III Fugacity model in EPI Suite™
(LEV3EPI™) was used for this Tier II analysis. LEV3EPI is described as a steady-state, non-
equilibrium model that uses a chemical's physical and chemical properties and degradation rates to
predict partitioning of the chemical between environmental compartments and its persistence in a model
environment (U.S. EPA. 2017). BBP's physical and chemical properties were taken directly from
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Section 2.1, and additional method information for the Tier II analysis and fugacity modeling are
described in Section 3.3.
The results of Level III Fugacity modeling are presented in Figure 5-1. The fugacity results suggest that
100 percent of releases to soil will remain in soil; 58 percent of releases to water will remain in water
with about 41.9 percent partitioning to sediments; and 60.6 percent of releases to air will end up in soil
with another 4.51 percent in water and 31.7 percent remaining in air. Based on BBP's environmental
half4ives, partitioning characteristics, and the results of Level III Fugacity modeling, BBP is expected to
be found predominantly in soil and to a lesser extent water and sediment. It should be noted that these
estimations are based on steady-state, non-equilibrium conditions (i.e., continuous releases) Therefore,
actual concentrations in environments receiving a single, pulse input of BBP may be low due to the
anticipated low persistence potential of BBP, primarily mediated by biodegradation processes (see
Section 4.1).
100
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o. 50
o
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CU
^ 30
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m
Air ¦ Water BSoil ¦ Sediment
Figure 5-1. EPI Suite™ Level III Fugacity Modeling Graphical Result
for BBP
6 MEDIA ASSESSMENTS
BBP has been reported to be present in the atmosphere, aquatic environments, and terrestrial
environments. Once in the air, BBP will be most predominant in the organic matter present in airborne
particles and expected to have a short half-life in the atmosphere. Based on the physical and chemical
properties, BBP in indoor air is likely to partition to house dust and airborne particles and is expected to
have a longer half-life compared to ambient (outdoor) air. BBP present in surface water is expected to
mostly partition to aquatic sediments. BBP is expected to have an aerobic biodegradation half-life
between about 0.5 to 35 days. In terrestrial environments BBP has the potential to be present in soils and
ground water but is likely to only be slightly mobile in both media types. In soils, BBP is expected to be
deposited via air deposition and land application of biosolids. BBP in soils is expected to have a half-life
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on the order of days to weeks and have low bioaccumulation potential and biomagnification potential in
terrestrial organisms. BBP may arrive in groundwater via infiltration of wastewater effluent and landfill
leachates, though it is not likely to be persistent in most groundwater/subsurface environments.
6.1 Air and Atmosphere
BBP is a liquid at environmental temperatures with a melting point of -35°C (Havnes. 2014b) (NLM.
2015) and a vapor pressure of 8.25x 10~6 mmHg at 25 °C (Howard et al.. 1985). Based on its physical
and chemical properties and short half4ife in the atmosphere (ti/2 = 0.75-0.97 days via indirect
photodegradation) (U.S. EPA. 2017; Peterson and Staples. 2003). BBP is not expected to be persistent in
the ambient air. The AEROWIN™ module in EPI Suite™ estimated a log KoAof 9.2, which suggests
that BBP will have a strong affinity for organic matter in air particulates. The physical and chemical
properties of BBP suggest that it has the potential to undergo dry and wet deposition but that its
transport in air will be mediated by indirect photodegradation (Zeng et al.. 2010; Peters et al.. 2008; Xie
et al.. 2005; Parkerton and Staples. 2003).
Phthalate esters have been frequently detected in the atmosphere and indoor air. Their worldwide
presence in air has been documented in the gas phase, suspended particles, and dust (Net et al.. 2015).
BBP is expected to be more persistent in indoor air than in ambient (outdoor) air due to the lack of
natural chemical removal processes, such as solar photochemical degradation. Based on its short half-
life in the atmosphere, BBP is not expected to be persistent in atmospheric air under normal
environmental conditions.
6.1.1 Ambient Air
Despite its half4ife in air of 0.75 to 0.97 days, BBP has been frequently measured at low concentrations
in ambient air. For instance, two studies reported gas phase concentrations of BBP in ambient air of 0.01
to 0.04 ng/m3 over the North Sea (Xie et al.. 2005) and 0.017 to 0.068 ng/m3 over the Arctic (Xie et al..
2007). These two studies also reported that 44 to 75 percent of BBP in the air was associated with
suspended particles and that in the North Sea there was a net deposition of BBP from ambient air into
water (Xie et al.. 2007; Xie et al.. 2005). Additionally, two studies conducted at day care centers in the
U.S. reported BBP concentrations ranging from less than 1 to 733 ng/m3 in outdoor air (Wilson et al..
2003; Wilson et al.. 2001). Other studies conducted outside the U.S. measured concentrations of BBP in
ambient air with a range of 0.02 to 17 ng/m3 in Sweden (Cousins et al.. 2007); 1.51 to 3.6 ng/m3 in air
over the Mediterranean Sea (Romagnoli et al.. 2016); and range of 4.7 to 12.1 ng/m3 in the vapor phase
and 14.5 to 12.7 mg/kg sorbed to particles in France (Teil et al.. 2006). Overall, the data suggest that
BBP is likely to be present in ambient air at low concentrations and a large percentage will be associated
with particulates.
6.1.2 Indoor Air and Dust
EPA identified several data sources reporting the presence of BBP in indoor air and dust within the
United States. Wilson et al. (2001) measured samples of indoor air and dust from ten daycare centers in
North Carolina. BBP was detected in all air and dust samples above the method detection limit with a
mean concentration of 100 ng/m3 and range of 108 to 404 ng/m3 in air samples, and a mean
concentration of 67.7 mg/kg and range of 15.1 to 175 mg/kg in dust samples. Another study conducted
in residential and office buildings in Massachusetts found BBP in dust samples ranging from 12.1 to 524
mg/kg, with a mean of 117 mg/kg and a detection frequency of 100 percent (Rudel et al.. 2001).
Additionally, Dodson et al. (2015) reported BBP concentrations in house dust from California of below
the detection limit to 330 mg/kg, with a median of 19 mg/kg.
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EPA also identified several data sources reporting the presence of BBP in indoor air and dust outside the
United States. Das et al. (2014) measured concentrations of phthalates in indoor air and dust samples
from Jawaharlal Nehru University (JNU), a campus with low industrial activity, and Okhla, a city with
high industrial activity related to the use of phthalates. The study reported that BBP concentrations in
outdoor air, indoor air, and indoor dust were higher in Okhla than JNU, demonstrating that industrial
activities may lead to higher exposures near an emitting facility. Another study conducted using
Swedish house dust reported an average BBP concentration in total dust of 0.96 |ig/mg sedimented dust,
with 1.23 xl0~3 mg/kg associated with the organic fraction of the dust (Oie et al.. 1997). In a study
conducted in Japan, BBP was found to range from below the detection limit to 26.6 ng/m3 in air, and
from below the detection limit to 52.1 mg/kg indoor dust in residential houses (Kanazawa et al.. 2010).
Another study measuring BBP concentrations in house dust from German households found
concentrations ranging from below the detection limit to 767 mg/kg, with a median of 15.2 mg/kg (Abb
et al.. 2009). Wang (2013) also reported higher concentrations of BBP in indoor dust compared to
outdoor dust, at average concentrations of 8.22 mg/kg and 0.72 mg/kg, respectively. Further, BBP was
found to be a minor phthalate at 3 to 27 percent of the total phthalate concentration in particulate matter
in indoor spaces in Norway (Rakkestad et al.. 2007). These data suggest that BBP is likely to be found in
indoor dust and air and at higher concentrations in indoor air compared to outdoor ambient air.
6.2 Aquatic Environments
6.2.1 Surface Water
BBP is expected to be released to surface water via industrial and municipal wastewater treatment plant
effluent, surface water runoff, and, to a lesser degree, atmospheric deposition. BBP has been detected in
surface waters, though generally at lower concentrations than other common co-occurring phthalates
such as DBP and DEHP (Grigoriadou et al.. 2008; Mackintosh et al.. 2006; Yuan et al.. 2002; Preston
and Al-Omran. 1989).
The principal properties governing the fate and transport of BBP in surface water are water solubility
(2.69 mg/L; (NLM. 2015)). air:water partitioning coefficient (log Kaw= -3.92; mean of values from
Cousins and Mackav (2000) and Lu (2009)). and organic carbon partitioning coefficients (log Koc =
5.52-6.21 in sediments (Xu and Li. 2009; Mackintosh et al.. 2006). and 5.09-6.75 L/kg to suspended
particulate matter (He et al.. 2019; Mackintosh et al.. 2006)). Due to the Henry's Law constant, HLC
(7.61 xl0~7 atmm3/mol (Elsevier. 2019)) of BBP, volatilization is not expected to be a significant
transport pathway. A partitioning analysis of BBP released to water estimates that about 39 percent of
the BBP released to water will partition to sediments and about 61 percent will remain in surface water
as described in Section 5 above. The same fugacity model run predicted that 5.26 percent of the total
BBP released to water will remain adsorbed to suspended particulate matter (U.S. EPA. 2017). Based on
the organic carbon partition coefficients, BBP remaining in the water column will readily adsorb to
suspended particulate matter to varying degrees, as discussed in the subsequent paragraph (mean SPM
log Koc= 5.99; see Table 5-1). Free/unbound BBP is expected to biodegrade rapidly in most aquatic
environments (see Section 4.1 and Table 4-1) and thus is not expected to persist in surface water except
at areas of continuous release, such as a surface water body receiving discharge from a municipal
wastewater treatment plant, where rate of release exceeds the rate of biodegradation.
There is a range in the expected relative distribution of BBP between freely dissolved and particulate-
associated (SPM) fractions that have been demonstrated to vary with salinity, temperature, and BBP
concentration. First, salinity is an important driver of BBP sorption to solids in aqueous systems, as the
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freely dissolved fraction decreases consistently with increasing salinity (0-35 ppt), indicating a salting
out effect (Xu and Li. 2009). The salting out effect may help to explain the order of magnitude
difference between the Koc values determined with SPM in a freshwater system (mean log Koc = 5.40
L/kg; (He et al.. 2019)) and a marine system (mean log Koc = 6.57 L/kg; (Mackintosh et al.. 2006). Xu
and Li (2009) also indicated that the fraction of BBP sorbed to solids was inversely related to
temperature within the tested range (24.9-34.9 °C). These effects are also discussed in Section 5. Last,
when concentrations above the water solubility were employed in biodegradation studies, authors took
note of possible heterogeneous spatial distribution of BBP in the aqueous phase, and that dispersion of
BBP within the water column may limit biodegradation rates due to lack of complete mixing (Monsanto.
1983e). For all instances where the partitioning equilibrium is shifted towards greater sorption of BBP to
solids, it is expected that overall biodegradation of total BBP in the water column will decrease, with
lower concentrations of freely dissolved BBP being bioavailable.
The available data sources reported the presence of BBP and other phthalates in surface water samples
collected from rivers and lakes globally. Preston and Al-Omran (1989) explored the presence of
phthalates within the River Mersey Estuary (northwest England) reporting the presence of BBP freely
dissolved in the water phase at concentrations below the limit of detection up to 0.135 |ig/L.
Grigoriadou et al. (2008) reported the presence of DIBP, DBP, BBP and DEHP on lake water samples
collected near the industrial area of Kavala, Greece. The detected concentrations of BBP in lake water
ranged from 0.083 to 58.200 |ig/L (Grigoriadou et al.. 2008). False Creek Harbor (Vancouver, British
Columbia) total (dissolved and SPM-sorbed) water concentrations of BBP ranged from 1.89 to 6.41
ng/L with the operationally dissolved (<0.45 jam) fraction concentrations ranging from 0.97 to 3.28 ng/L
and the suspended fraction concentrations ranging from 1,250 to 5,650 ng/g dw. These data show higher
concentrations of BBP in the SPM than in the operationally dissolved phase, which is to be expected
given the Koc and partitioning analysis (see Section 5) results for BBP.
Concentrations and detection frequencies for BBP in surface waters measured in the U.S. are generally
low. BBP measured in the Nanticoke River, MD (a tributary of the Chesapeake Bay) reported a
detection frequency of 0 percent with a limit of detection (LOD) of 1 |ig/L (Hall et al.. 1985). Similarly,
Burgess & Niple (1981) detected BBP in one of three sites sampled in Scippo Creek, OH, though the
detection was below the limit of quantification (LOQ) of 10 |ig/L. In monitoring of rivers in the U.S.,
Gledhill et al. (1980) reported an overall detection frequency of 66% (LOD 0.2 |ig/L), with no
detections reported for San Francisco Bay, and the most detections found in the Mississippi River in St.
Louis, MO (range of 0.30-2.4 |ig/L; n = 10).
More recent monitoring studies conducted in the U.S. are either consistent with the above reported
studies in terms of detection frequency or have employed more sensitive analytical techniques to resolve
BBP concentrations in the ng/L range. Coiner et al. (2010) reported a 0 percent detection rate of BBP in
streams receiving water from draining munitions firing points and impact areas, Fort Riley, Kansas
(LOD range from 10.2 to 13.3 |ig/L). In a survey of the Delta (Sacramento) and Bay Area, CA, Pros et
al. (2003) reported a detection frequency of 20 percent, with no detections in the Delta, Central Bay,
South Bay or Golden Gate areas, and a total water concentration of 327 ng/L in the North Bay. To
contrast, the median and maximum total BBP concentrations were 67 ng/L and max 144 ng/L in Eleven
Point River (100% detection), and 44 ng/L and max 351 ng/L in the North Fork of White River (93%
detection), respectively.
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6.2.2 Sediments
The fate of BBP in sediments is largely governed by its affinity for organic carbon in sediment media, as
well as its readily biodegradable nature. Based on a mean of empirical sediment log Koc values of 5.83
(Xu and Li. 2009; Mackintosh et al.. 2006). BBP will readily partition to the organic matter present in
soils and sediment when released into aquatic environments. With continuous releases to water, the
Level III Fugacity Model in EPI Suite™ (U.S. EPA. 2017) predicts that close to 42 percent of the BBP
will partition to the sediment compartment, and 6.38 percent of the total emissions to water will
biodegrade in the sediment compartment, (Section 5). Full fugacity model outputs are provided in
Section 5.3.
BBP is expected to biodegrade rapidly in most aquatic environments (see Section 4.1). Empirical half-
lives range from 0.5 days (aerobic) to 25.5 days (anaerobic) in river sediments (Yuan et al.. 2002).
However, it has been suggested that phthalate esters that inherently biodegrade in sediments have
increased persistence in sediments with increasing sorption potential to sediments, as sorbed fractions
are less bioavailable to microbial degradation (Kickham et al.. 2012). This suggests that BBP could
persist longer in subsurface sediments than in the water column, and longer than suggested by the
controlled laboratory biodegradation studies as discussed in Section 4.1.
The BBP partitioning to aquatic sediments is consistent with the available monitoring data sources
containing information on BBP in river sediment samples.
Several international studies have reported the presence of BBP in sediment samples at concentrations
ranging from below the limit of detection to 150 ng/g dw (Cheng et al.. 2019; Tang et al.. 2017; Preston
and Al-Omran. 1989). Additionally, several studies conducted in the U.S. monitored for, but did not
detect BBP in any of their sediment samples. These studies were conducted in the Jiulong River,
Southeast China (LOD between 1 and 5 |ig/kg; (Li et al.. 2017)); Green Pond Brook and Bear Swamp
Brook, NJ (reporting limit 200 |ig/kg; (Storck and Lacombe. 1997)). and Fort Bragg, NC (LOD 500
|ig/kg in streams near a demolished asphalt plant; (Campbell. 1997)).
Lin et al. (2003) measured phthalate concentrations in sediments and striped perch in four locations in
False Creek Harbor, Vancouver. Mean concentrations of all the monitored phthalate esters ranged from
2.0 to 3.6 mg/kg dw across the four sediment sample locations. While precise concentrations were not
explicitly provided, the authors stated that the concentrations of dimethyl phthalate (DMP), diethyl
phthalate (DEP), DIBP, DBP, and BBP represented about 5 percent of the total concentration of the
monitored phthalate esters.
Additional monitoring in the U.S. has shown large ranges in BBP sediment concentrations. Gledhill et
al. (1980) detected BBP in three of nine sampling locations in surveys of rivers in the U.S.: mean
concentrations and detection frequencies were reported as 567 (100%), 400 (100%), and 100 (25%) ng/g
ww in the Upper Saginaw, Lower Saginaw, and Missouri Rivers, respectively. The other six locations
were below the detection limit of 100 ng/g ww (moisture content not reported) (Gledhill et al.. 1980). In
coastal surface waters along coastal Washington state, BBP presence was reported as below method
reporting limits in freshwater (LOQ 0.51 |ig/L), SPM, and sediment samples (LOQ range 30-106 |ig/kg
dw for SPM and sediments), with one tentatively identified case in marine sediments (3% detection
frequency) (WA DOE. 2022). Papoulias and Buckler (1996) reported sediment concentration ranges of
less than 180 to 15,000 |ig/kg, less than 240 to 16,000 |ig/kg, and less than 18 to 3,000 |ig/kg in Buffalo
River, Indiana Harbor, and Saginaw River, respectively as part of the Assessment and Remediation of
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Contaminated Sediments Program operated by the Great Lakes Program Office. The wide variance in
monitored BBP in sediments is likely due to a combination of varying biodegradation capacities by
sampling site, extraction and analytical method sensitivity, and a wide range of collection dates and
therefore potential sources and transformation times relative to time of release.
6.3 Terrestrial Environments
6.3.1 Soil
BBP is expected to be deposited to soil via two primary routes: application of biosolids in agricultural
applications or sludge drying applications; and atmospheric deposition. Based on its HLC of 7.61 xl0~7
atmm3/mol and vapor pressure of 8.25 x ] 0 6 mmHg, BBP is not likely to volatilize significantly from
soils.
BBP is expected to show strong affinity for sorption to soil and its organic constituents based on a log
Koc of 4.86 (Section 5), and a log Kow of 4.73 (NLM. 2015). Thus, BBP is expected to have slow
migration potential in soil environments.
EPA did not identify any high-quality studies reporting biodegradation in soils; because of this, EPA
opted to use a half4ife of 10 days in soil, approximated based on BBP's readily biodegradable
designation, for the purposes of this evaluation (U.S. EPA. 2017) (Section 4.1). Overall, EPA has
moderate confidence that BBP will biodegrade rapidly in soil.
EPA identified 17 studies and reports conducted in the U.S. measuring BBP in soils. Wilson et al.
(2001) measured BBP in soil from outdoor play areas at five daycare centers in North Carolina in spring
1997 and found concentrations ranging from 4.11 to 1.02><102 |ig/kg. In a follow-up study, two of the
same daycare centers found concentrations of less than 2.0 to 64 |ig/kg, with BBP only detected in two
of the four samples (Wilson et al.. 2003). EPA also evaluated fifteen studies submitted under TSCA
section 8(d) by automobile, chemical, and aerospace manufacturing facilities in the 1980s and 1990s
(Campbell. 1997; ENSR. 1996a. b, 1995; Ecology and Environment. 1992; ERM-Northeast. 1992;
Hargis & Montgomery Inc. 1992; Geraghtv & Miller Inc. 1991; Malcolm Pirnie Inc. 1991;
Westinghouse Electric Corporation. 1991; Geraghtv & Miller Inc. 1990; Westinghouse Electric
Corporation. 1990; Bechtel Environmental. 1988; Dames & Moore. 1988; Hargis & Montgomery Inc.
1984). Only two of these studies reported a measurable soil concentration of BBP ranging from 12 to
690 |ig/kg (ERM-Northeast. 1992; Bechtel Environmental. 1988). All other samples from these studies
were either below the detection or quantification limit.
6.3.2 Biosolids
Sludge is defined as the solid, semi-solid, or liquid residue generated by wastewater treatment processes.
The term "biosolids" refers to treated sludge that meet the EPA pollutant and pathogen requirements for
land application and surface disposal and can be beneficially recycled (40 CFR part 503) (U.S. EPA.
1993). Typically, chemical substances with very low water solubility and high sorption potential are
expected to be sorbed to suspended solids and efficiently removed from wastewater via accumulation in
sewage sludge and biosolids. As described in Section 7.2, sorption to sewage sludge can be a major
removal mechanism of BBP during wastewater treatment. Based on the STP module in EPI Suite™,
only 18.31 percent of BBP present in wastewater is expected to be accumulated in sewage sludge and
discharged in biosolids (U.S. EPA. 2017).
A survey of POTW in the US conducted by EPA reported BBP concentrations in undigested combined
sludge of 2 to 45,000 |ig/L (Bennett. 1989; U.S. EPA. 1982). The same survey reported concentrations
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of BBP in digested sludge of not detected to 4,400 |ig/L, demonstrating that digestion may reduce
sludge concentrations. The survey also reported an average BBP concentration of 809 |ig/L in
undigested combined sludge for 21 WWTPs that did not have measurable concentrations in the influent,
which indicates that BBP can accumulate in sludge during the wastewater treatment process. An
additional EPA report measured BBP concentrations in combined sludge of 0.52 to 210 mg/kg dw
(Howie. 1991; Navlor and Loehr. 1982). Another study conducted in the U.S. reported a biosolids
concentration of 0.07 mg/kg after anaerobic digestion for an activated sludge WWTP in Florida (Howie.
1991).
BBP has also been consistently monitored for and detected in sludge, biosolids, and biosolids-amended
soils across the world. Four studies conducted in China reported BBP concentrations in sludge of 0.023
to 35 mg/kg dw, with a mean of 0.39 mg/kg dw, at 11 WWTPs (Cai et al.. 2007a); below detection to
1.4 mg/kg dw, with a mean of 0.14 mg/kg dw, at 25 WWTPs (Meng et al.. 2014); 0.0011 to 0.0149
mg/kg, with a mean of 0.0048 mg/kg and detection rate of 80.4 percent, at 46 WWTPs (Zhu et al..
2019); and below detection to 16.69 mg/kg at 3 WWTPs (Wu et al.. 2019). Compost made from
biosolids in China had BBP concentrations of 0.045 to 0.36 mg/kg dw (Cai et al.. 2007b).
Studies conducted in Europe found concentrations of BBP of 7 mg/kg in sludge prior to anaerobic
digestion (Palm et al.. 1989); below detection in 15 sludge samples (Fromme et al.. 2002); below
detection in anaerobically digested and dewatered biosolids (Marttinen et al.. 2003); 2,01 / ] 0 1 mg/kg in
anaerobically digested biosolids (Gibson et al.. 2005); and approximately 0.14 mg/kg dw in biosolids
(Tran et al.. 2015). Two studies evaluated the accumulation of BBP in soil following land application of
biosolids. One found that BBP was not accumulating in large amounts in the soil receiving the biosolids
(Tran et al.. 2015). The other found BBP concentrations of 0.06, 0.01, and 29 |ig/kg following low,
normal, and higher loading rates of biosolids, while unamended soils had concentrations ranging from
6/10 5 to 3.8/10 4 mg/kg (Vikelsoe et al.. 2002).
Additionally, two studies in Australia found BBP concentrations in sludge ranging from below detection
to 5.87xl0~2 mg/kg for three activated sludge WWTPs (Tan et al.. 2008; Tan et al.. 2007b). The same
study also found BBP concentrations of 2.4x 10 3 to 3.9x 10 3 mg/kg in two soils amended with
biosolids. Other studies from across the world found BBP concentrations in sludge of 1 to 4 mg/kg
(Gani and Kazmi. 2016); 2.6/ 10 2 to 1.3/10 1, with a mean of 7.6/ 10 2 mg/kg, from three WWTPs
(Salaudeen et al.. 2018a); 6.3><10~2 to 1.5xl0_1 mg/kg dw, 6.6><10~2 to l.lxlO-1 mg/kg dw, and below
detection to 1.9xl06 mg/kg at municipal WWTPs, mixed waste WWTPs, and industrial WWTPs,
respectively (Lee et al.. 2019).
Overall, the data indicate that BBP is likely to be present in biosolids but that it is unlikely to be
persistent or mobile in soils after land application of biosolids given its Koc, water solubility, and
biodegradation half4ife in soil.
6.3.3 Landfills
For the purpose of this assessment, landfills will be considered to be divided into two zones: an "upper-
landfill" zone, with normal environmental temperatures and pressures, where biotic processes are the
predominant route of degradation for BBP, and a "lower-landfill" zone where elevated temperatures and
pressures exist, and abiotic degradation is the predominant route of degradation for BBP. In the upper-
landfill zone where oxygen may still be present in the subsurface, conditions may still be favorable for
aerobic biodegradation. However, photolysis and hydrolysis are not considered to be significant sources
of degradation in this zone. In the lower-landfill zone, conditions are assumed to be anoxic, and
temperatures present in this zone are likely to inhibit biotic degradation of BBP. Temperatures in lower
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landfills may be as high as 70 °C. At temperatures at and above 60 °C, biotic processes are significantly
inhibited, and are likely to be completely irrelevant at 70 °C (Huang et al.. 2013).
BBP is deposited in landfills continually and in high amounts from the disposal of consumer products
containing BBP. However, due to its low water solubility (2.69 mg/L), concentrations of BBP in landfill
leachate are expected to be low. BBP is likely to be persistent in landfills due to the expected low rates
of anaerobic biodegradation in lower4andfills, whereas some aerobic biodegradation may occur in
upper4andfills. BBP is expected to form monophthalate ester products in landfill environments:
Eilertsson et al. (1996) assessed the biodegradation of BBP employing anaerobic microbes originating
from methanogenic landfill conditions in a laboratory reactor. In an incubation with nutrient media, the
cultivated landfill methanogens yielded 11 percent of the theoretical methane production of BBP with
less than 30 percent of the original BBP dose (50 mg-C/L) recoverable by day 278. Phthalate,
monobenzyl phthalate, CH4 and CO2 reported as degradation products. However, the sterilization of the
abiotic control failed in this study, therefore reported losses may not be entirely attributable to microbial
degradation. As biodegradation rates may be suppressed in higher-temperature layers of landfills, it has
been suggested that hydrolysis may be the main route of abiotic degradation of phthalate esters (Huang
et al.. 2013). Hydrolysis of BBP in landfill environments may be accelerated in more acidic zones (see
Section 4.2 for more information on BBP hydrolysis).
Due to the expected persistence of BBP in landfills, it may dissolve into leachate in small amounts as
mentioned above. However, given its tendency to adsorb to organic phases in soils and solid media,
migration to groundwater from leachate is not expected to be an important transport pathway. This
conclusion is generally supported by landfill leachate studies, as summarized below.
Limited evidence for BBP leaching from landfill media is in part due to low detection frequencies
obtained for BBP. Concentrations of less than 5 (LOD) to 8.1 |ig/L were measured in leachates from a
municipal landfill in Gryta, Vasteras, Sweden (Oman and Hvnning. 1993). Similarly, low detection
frequencies for BBP were reported in a Japanese monitoring study of five leachate treatment facilities
each employing different landfill and leachate treatment processes, and each having operated for various
amounts of time (Asakura et al.. 2007). The authors reported detection frequencies ranging from 0
percent to 33 percent, where the five influent leachates had a detection frequency of 18 percent, and
median and maximum concentrations of 3.3 and 5.7 |ig/L, respectively (Asakura et al.. 2007).
Liu et al. (2010) measured phthalate esters in samples taken around an operational landfill in Wuhan
city, China. BBP was not detected in any samples from the landfill leachate (n = 5), adjacent surface
water (n = 4), and groundwater (n = 8) near the site (LOD range 22 to 341 ng/L). To compare, DEHP
saw 60, 100 and 50 percent detection frequencies in these media. BBP was detected in three topsoil
samples (topsoil concentrations ranging from ND to 61.4 |ig/kg) and one overbarden (top layer) sample
at 180.9 |ig/kg. The authors note that the reported concentrations were blank and recovery-corrected,
however, no additional quality control data was explicitly provided (Liu et al.. 2010). In the U.S., BBP
was not detected (LOD 0.3 mg/kg) in a survey of construction and demolition waste in Florida, whereas
DBP was measured ranging from 0.4 to 7.8 mg/kg (Jang and Townsend. 2001).
The low detection frequencies in leachates are supported by a report studying the leaching behavior of
two polyvinyl butyral (PVB) products in various leaching media using a method proposed by U.S. EPA
for Toxicity Characteristic Leaching Procedure (TCLP) (Monsanto. 1986b). In this controlled laboratory
leaching potential study, Monsanto (1986b) studied the leaching BBP behavior of two types of Saflex®
PVB (identified as TG and SR) using a method proposed by U.S. EPA for Toxicity Characteristic
Leaching Procedure (TCLP) with four leaching media: sodium acetate (NaOAc), acetic acid (HOAc),
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hydrochloric acid (HC1), and sodium hydroxide (NaOH). BBP was not detected in any of the leachates
of the TG Saflex® leaching tests. However, BBP was detected at concentrations of 0.28, 0.34 and 0.28
mg/L when leaching the SR Saflex® with HO Ac, HCL and NaOAc, respectively. BBP concentration in
a characteristic receptor well 500 ft away was then modeled to be 0.2 mg/L using a vertical-horizontal
spread model and the TCLP results as the starting concentration (Monsanto. 1986b). Given the physical
and chemical properties of BBP along with available monitoring data, BBP is expected to remain largely
adsorbed to solids in landfills, with minimal transport in leachates.
6.3.4 Groundwater
There are several potential sources of BBP in groundwater, including from infiltration of wastewater
effluents and to a lesser degree, landfill leachates (discussed in Sections 7.2 and 6.3.3, respectively).
Furthermore, in environments where BBP is found in surface water, it may enter groundwater through
surface water/groundwater interactions, especially in areas with groundwater-fed surface waters. Diffuse
sources include stormwater runoff and runoff from biosolids applied to agricultural land, though these
are expected to be minimal due to the physical and chemical characteristics—namely solubility and
hydrophobicity—of BBP.
Given the strong affinity of BBP to adsorb to organic matter present in soils (log Koc = 3.38-4.23 L/kg)
(Russell and Mcduffie. 1986; Monsanto. 1983b). BBP is expected to have low mobility in soil and
therefore a low tendency to migrate to groundwater. Furthermore, due to the low solubility of BBP (2.69
mg/L), high dissolved concentrations of DBP in groundwater are unlikely. In instances where BBP
could reasonably be expected to be present in groundwater environments (potentially, proximal to
landfills or agricultural land with a history of land applied biosolids), limited persistence is expected
based on rates of biodegradation of BBP in aerobic and anaerobic environments (see Section 4.1).
7 PERSISTENCE POTENTIAL OF BBP
BBP is not expected to be persistent in the environment, as the overall environmental half4ife was
estimated to be approximately 8.9 days using the Level III Fugacity model in EPI Suite™ (U.S. EPA.
2012). Biodegradation half4ives on the order of days to months are expected in most aquatic, soil, and
sediment environments (Section 4.1). With an expected indirect photolysis half4ife of less than one day,
BBP is unlikely to be persistent in the atmosphere (Section 4.3). BBP is predicted to hydrolyze slowly at
ambient temperature but is not expected to persist in aquatic media as it undergoes rapid aerobic
biodegradation (Section 4.2). Data also show that BBP is not likely to bioaccumulate in aquatic or
terrestrial organisms (Section 8).
7.1 Destruction and Removal Efficiency
Destruction and Removal Efficiency (DRE) is a percentage that represents the mass of a pollutant
removed or destroyed in a thermal incinerator relative to the mass that entered the system. BBP is
classified as a hazardous substance and EPA requires that hazardous waste incineration systems destroy
and remove at least 99.99 percent of each harmful chemical in the waste, including treated hazardous
waste (46 FR 7684) (Federal Register. 1981). EPA extracted one study reporting on the DRE of BBP,
which reported values of 99.92 to greater than 99.9996 percent for three incinerators using both aqueous
and organic liquid wastes (Midwest Research Institute. 1984). Therefore, it is expected that BBP will be
fully destroyed during most incineration processes.
7.2 Removal in Wastewater Treatment
Wastewater treatment is performed to remove contaminants from wastewater using physical, biological,
and chemical processes. Generally, municipal wastewater treatment facilities apply primary and
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secondary treatments. During the primary treatment, screens, grit chambers, and settling tanks are used
to remove solids from wastewater. After undergoing primary treatment, the wastewater undergoes a
secondary treatment. Secondary treatment processes can remove up to 90 percent of the organic matter
in wastewater using biological treatment processes such as trickling filters or activated sludge.
Sometimes an additional stage of treatment such as tertiary treatment is utilized to further clean water
for additional protection using advanced treatment techniques (e.g., ozonation, chlorination,
disinfection).
The available data sources report overall removal efficiencies of BBP in conventional activated sludge
WWTPs of 41 to 93 percent (Table 7-1). The water solubility (2.69 mg/L) and log Koc (4.86) of BBP
suggest partial removal via sorption to sludge in WWTPs. Biodegradation studies also suggest that both
aerobic and anerobic biodegradation will also be important removal mechanisms during wastewater
treatment (Section 4.1).
Studies evaluating overall removal efficiencies in WWTPs with activated sludge secondary treatment
reported values of 43 to 87 percent at three WWTPs in South Africa (Salaudeen et al.. 2018a. b); 66
percent at a WWTP in Denmark (Fauser et al.. 2003); 72 to 90 percent for two WWTPs in Hong Kong
(Wu et al.. 2017); 73.91 to 74.86 percent for WWTPs in China (Wu et al.. 2019); greater than 80 percent
on average for five POTWs in the U.S. and 0 to 20 percent removal for one WWTP in the U.S.
(Oppenheimer et al.. 2007; Stephenson. 2007); 96 percent for a WWTP in France; and 50 percent and
greater than 90 percent for a conventional activated sludge process and sequencing batch reactor in
India, respectively (Gani and Kazmi. 2016). Salaudeen et al. (2018b) also reported removal efficiencies
of 89 percent and 88 percent for WWTPs using an oxidation pond and trickling filter, respectively. Two
studies also reported lower removal efficiencies of 28 percent for a chemical enhanced primary
treatment WWTP in Hong Kong with no secondary treatment (Wu et al.. 2017) and 41 percent for a
WWTP in India using an up flow anaerobic sludge blanket reactor followed by a finishing pond;
however, since these treatment processes are not common in the U.S., they are not considered in this
analysis. Additionally, one study conducted in China using three activated sludge WWTPs found no
removal for one plant and a 40 to 230 percent increase for the other two (Gao et al.. 2014V Across all
available studies, both sorption to sludge and biodegradation were reported as primary removal
mechanisms.
Additionally, the EPA 40 POTW study reported secondary treatment removal efficiencies for WWTPs
across the U.S. with a variety of treatment processes, including activated sludge, trickling filters, and
aerated lagoons. The study found that secondary treatment removal efficiency was greater than 50
percent for greater than 99 percent of the POTWs and greater than 90 percent for 40 percent of the
POTWs for the 35 WWTPs with BBP influent concentrations greater than 0 (U.S. EPA. 1982). Percent
removals of BBP of 62 to 93 percent were calculated for plants with average influent concentrations
greater than three times the most frequent detection limit of each WWTP (U.S. EPA. 1982V
It has also been shown that anaerobic sludge digestion can potentially reduce BBP concentrations in
biosolids, with one study reporting a 74.3 to 76.4 percent decrease in BBP solids concentrations
following anaerobic digestion for two WWTPs (Armstrong et al.. 2018V The same study also reported
that for two WWTPs there was either no change or an increase in BBP concentrations in solids
following anaerobic digestion (Armstrong et al.. 2018V These results indicate that anaerobic digestion
may be an effective treatment process, but the efficiency will depend on the specific operating
conditions of the digester and microbial community present.
Modeling using STPWIN™ in EPI Suite™ showed that 99.86 percent of BBP will be removed during
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conventional wastewater treatment when using biodegradation half-lives predicted by the BIO WIN™
model in EPI Suite™ (U.S. EPA. 2017). The half4ives predicted by the BIOWIN™ model are
comparable to but shorter than the average half4ives in water identified in Section 4.1; therefore, the
presented STPWIN™ results are likely representative of a high biodegradation scenario. The model also
predicted that 81.54 percent of BBP would be removed by biodegradation and 18.31 percent would be
sorbed to sludge. Additional fugacity modeling of a conventional activated sludge WWTP in Australia
that included biodegradation predicted an overall removal rate of 47 percent, with biodegradation being
the major removal mechanism (Tan et al.. 2007a). Overall, the available information suggests that both
biodegradation and sorption to solids will be important removal mechanisms during aerobic wastewater
treatment. Additionally, air stripping is not expected to be a significant wastewater removal process
based on the vapor pressure and HLC of BBP. In general, based on the available measured and predicted
information, WWTPs are generally expected to remove between 40 to 90 percent of BBP present in
wastewater.
Table 7-1. Summary of WWTP Removal Information for BBP
Property
Removal Efficiency
Reference(s)
Data Quality
Rating
42.53-87.23%; activated
Salaudeen et al. (2018a)
High
sludge
66%; activated sludge
Fauser et al. (2003)
High
50-90%; activated sludge
Gani and Kazmi (2016)
High
0% for 1 WWTP, 40-230%
Gao et al. (2014)
High
increase for 2 WWTPs;
activated sludge
62-93%; activated sludge,
tickling filters, aerated
U.S. EPA (1982)
High
Removal (WWTP)
lagoons
>80% for 6 WWTPs, 0-20%
for 1 WWTP; activated
sludge
Oppenheimer et al. (2007).
Stephenson (2007)
High
96%; activated sludge
Tran et al. (2014)
High
73.91-74.86%; activated
Wu et al. (2019)
High
sludge
72-90%; activated sludge
Wu et al. (2017)
High
76-89%; activated sludge,
oxidation pond, trickling filter
Salaudeen et al. (2018b)
High
7.3 Removal in Drinking Water Treatment
Drinking water in the United States typically comes from surface water (i.e., lakes, rivers, reservoirs)
and groundwater. The source water then flows to a treatment plant where it undergoes a series of water
treatment steps before being dispersed to homes and communities. In the U.S., public water systems
often use conventional treatment processes that include coagulation, flocculation, sedimentation,
filtration, and disinfection, as required by law.
EPA did not identify any studies quantifying the removal of BBP in water treatment plants. EPA
previously determined that the phthalates DBP and DIBP will be partially removed in conventional
water treatment plants (U.S. EPA. 2024c. d). Given the similarity in structure and physical and chemical
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properties of BBP to DIBP and DBP, EPA expects BBP to be partially removed in water treatment
plants.
8 BIOACCUMULATION OF BBP
The presence of BBP in several marine aquatic species in North America suggests that it may be
bioavailable in aquatic environments (Mackintosh et al.. 2004); however, a measured log Kow of 4.34
suggests that BBP is not expected to have a high bioaccumulation potential. Further, an EPI Suite™
predicted bioaccumulation factor (BAF) value of 40.1 L/kg wet weight suggests limited
bioaccumulation potential. EPA also identified nine high-quality data sources reporting the aquatic
bioconcentration, aquatic bioaccumulation, aquatic food web magnification, and terrestrial
bioconcentration of BBP (Table 8-1).
EPA identified three studies measuring the bioconcentration factor (BCF) of BBP in bluegill sunfish.
BCF values were quantified in two ways: 1) measurement of radio-labeled carbon concentrations in fish
and water; and 2) measurement of direct concentrations of BBP in fish and water. The whole fish BCF
value calculated using direct measurements of BBP was 12.4 (Carretal.. 1997). while whole fish BCF
values calculated using radio-labeled carbon were much higher at 187.65 to 663 (Carr et al.. 1997;
Monsanto. 1983a; Barrows et al.. 1980). BCF values calculated using radio-labeled carbon can be
artificially greater because concentrations in the fish will include metabolites and degradation products
of BBP, which may be more bioavailable than the parent compound. BCF values calculated using direct
measurement of BBP are more reflective of the bioconcentration potential of BBP; therefore, for this
analysis, EPA relied on the BCF value of 12.4 from the study using direct measurements of intact BBP
to assess the bioconcentration potential of BBP.
EPA identified one study that reported total water concentration (dissolved + particulate) BAF values of
204,000 L/kg-lipid for staghorn sculpin {Leptocottus armatus; a forage fish) and 11,800 L/kg-lipid for
spiny dogfish (Sqiiahis Acanlhias\ a flatfish) collected from False Creek, British Columbia (Gobas et al..
2003). Adjusting for 5.0 percent lipid content for the staghorn sculpin, and 15 percent lipid content for
the dogfish, the non-lipid normalized BAF values from this study are 10,200 L/kg and 1,770 L/kg,
respectively (Gobas et al.. 2003). The study further reported lipid equivalent BAF values greater than
100,000 L/kg-lipid for green algae (Enteromorpha intestinalis), plankton, geoduck clams (Pcmopea
abrupta), clams, striped seaperch (Embiotoca lateralis), pile perch (Rhacochilus vacca), and surf scoters
(Melanittaperspicillata). These BAF values indicate that BBP has bioaccumulation potential among the
monitored species in False Creek and suggest that diet may be an appreciable route of exposure for
aquatic organisms, as BAF values account for both respiration and dietary exposure routes. However,
EPA was unable to confirm key experimental details required to assess the study quality, such as sample
sizes, and quality control and quality assurance measures associated with both sampling and analytical
methods of the study. As a result, EPA only has moderate overall confidence in representativeness of
these reported BAF values.
One study measured a trophic magnification factor (TMF) of 0.77 in a marine environment, which
indicates that biomagnification up an aquatic food chain is not likely (Anscher et al.. 2006).
Additionally, two studies reported biota-sediment accumulation factor (BSAF) values of 2 to 20 for five
species of fish from rivers in Taiwan (Huang et al.. 2008) and 2.8 to 4.3 for three species of fish from
the Orge river in France (Teil et al.. 2012) (Table 8-1). In general, the measured data suggest that BBP
will have a low biomagnification and trophic magnification potential in aquatic organisms based on the
measured BCF, TMF, and BSAF values; however, the measured BAF values indicate that
bioaccumulation in fish may be possible in certain scenarios and may tend to accumulate more readily in
lower-trophic level species and species that associate more with benthic sediments. Because of limited
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empirical BAF data that generally disagree with the modeled BCFBAF™ BAF estimate and empirical
BCF data available for BBP, EPA has slight confidence that BBP will not bioaccumulate in aquatic
organisms.
EPA identified two studies that report BAF values for BBP in terrestrial environments. One study
reported values of 6.79 to 35.75 for wheat and 1.41 to 2.90 for maize (Li et al.. 2018). The other study
measuring concentrations of BBP in vegetables did not detect BBP in any of the vegetables sampled (n
= 16), which indicates no terrestrial bioaccumulation potential (Li et al.. 2016a). Overall, the measured
data suggest that BBP will have a low bioaccumulation and biomagnification potential in terrestrial
organisms.
Table 8-1. Summary of Bioaccumulation Information for BBP
Endpoint
Value
Organism
Reference
Overall
Quality
Ranking
Aquatic BCF
Whole fish: 12.4;
viscera: 19.1; fillet:
1.1 (intact BBP)
Bluegill sunfish (Lepomis
mctcrochirus)
Carr et al. (1997)
High
Whole fish: 225;
viscera- 387: fillet:
25.5 (radio-labeled
carbon)
Whole fish: 187.65
(radio-labeled
carbon)
Bluegill sunfish (Lepomis
mctcrochirus)
Monsanto (1983a)
High
Whole fish: 663
(radio-labeled
carbon)
Bluegill sunfish (Lepomis
mctcrochirus)
Barrows et al. (1980)
High
Aquatic BAF
Total water
concentration:
11,800 L/kg-lipid;
observed lipid
equivalent: 11,800
L/kg-lipid
Dogfish (Squctlus Acctnthicts)
Gobas et al. (2003)
Medium
Total water
concentration-
72,700 L/kg lipid:
observed lipid
equivalent- 204,000
L/kg lipid
Sculpin (Leptocottus
ctrmatus)
Aquatic BSAF
2-20
Blackhead seabream
(Acctnthopagrus schlegeli,
Lizct subviridis - B), Nile
tilapia (Oreochromis
miloticus niloticus - c), and
Huans et al. (2008)
High
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Endpoint
Value
Organism
Reference
Overall
Quality
Ranking
Taiwan Torrent Carp
(Acrossocheilus paradoxus)
2.8-4.3
Perch (Perca fliiviatilis),
roach (Rutilus rutilus), and
chub {Lendsens cephalus)
Teil et al. (2012)
High
Aquatic TMF
0.77
Marine food chain, including
plankton, microalgae, blue
mussels (Mytilns ediilis),
geoduck clams (Panopea
abrupta), striped seaperch
(Embiotoca lateralis), and
spiny dogfish (Sqiialus
acanthias)
Mackintosh et al.
(2004)
High
Terrestrial BAF
Wheat: 6.79-35.75;
maize: 1.41-2.90
Winter wheat (Triticum
aestivum), and summer
maize (Zea mays)
Li et al. (2018)
High
Not detected in
vegetables
Vegetables collected from a
greenhouse (n=16), including
eggplant, bitter gourd,
peppers, tomato, long
podded cowpea, celery,
onion
Li et al. (2016a)
High
9 OVERALL FATE AND TRANSPORT OF BBP
The inherent physical and chemical properties of BBP govern its environmental fate and transport. The
magnitude of the partitioning coefficients identified for BBP (Table 5-2) suggest that BBP may exist in
surface water, and sorbed to organic carbon fractions in soil, sediment, and air in the environment. With
a HLC of 7.61 x 10~7 atmmVmol at 25 °C (Elsevier. 2019). BBP is not expected to be volatile from
surface water. BBP is slightly soluble in water (2.69 mg/L (NLM. 2015 )). and sorption to organics
present in sediment and to suspended and dissolved solids present in water is expected to be a dominant
process given the range of identified log Koc values (Table 5-1). BBP's solubility and range of log Koc
values (Table 5-1) suggests that BBP that occurs in soil is unlikely to exhibit mobility, also supported by
fugacity modeling (Section 5).
BBP in surface water is subject to two primary competing processes: biodegradation and adsorption to
organic matter in suspended solids and sediments. BBP in the freely dissolved phase is expected to show
low persistence, with rapid biodegradation under aerobic conditions (Table 4-1). The fraction of BBP
adsorbed to particulates increases with water salinity due to a salting out effect, as indicated by greater
log Koc values measured in saltwater as compared to those measured with freshwater. Monitoring data
in the U.S. generally show low detection frequencies in surface water. Sampling of U.S. surface water
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sediments yielded a wide range of concentrations, however BBP was generally found in lower
concentrations than other phthalate esters and often with low detection frequencies. However,
monitoring data have historically shown concentrations up to 16,000 |ig/kg in river sediments (Papoulias
and Buckler. 1996).
BBP has a vapor pressure of 8.25x 10-6 mmHg at 25 °C (NLM. 2015; Howard et al.. 1985) indicating
that BBP will preferentially adsorb to particulates in the atmosphere, with adsorbed fractions being
resistant to photolysis. This is consistent with the estimated octanol:air partition coefficient of 9.2 (U.S.
EPA. 2017). BBP that occurs in the atmosphere will likely degrade via OH-mediated indirect photolysis
with a half4ife of 0.97 days (23.28 hours) based on an estimated OHreaction rate constant of 1.10x10"
11 cm3/molecule-second, and assuming a 12-hour day with 1.5xl06 OH/cm3 (U.S. EPA. 2017). BBP is
consistently detected at low concentrations in ambient air (Section 6.1.1); however, given its
atmospheric half-life, BBP is not expected to be persistent in air or undergo long range transport.
BBP in indoor settings is expected to partition to airborne particles and dust. BBP in indoor air is also
likely to have a longer half-life compared to ambient outdoor air due to limited direct and indirect
photolysis. The available data suggest that plastic products containing are likely to be sources of BBP in
indoor environments (Dodson et al.. 2017; Abb et al.. 2009).
BBP arrives to landfills via the disposal of consumer products containing BBP. Limited information is
available on the biodegradation potential of BBP in landfill media. However, given the physical and
chemical properties of BBP along with available monitoring data and experimental leaching data, BBP
is expected to remain largely adsorbed to solids in landfills, with minimal transport in leachates.
Limited information is available on the removal of BBP during drinking water treatment; however, it is
expected to behave similarly to other phthalate esters exhibiting partial removal. Based on BBP's
aqueous solubility, slight tendency to volatilize, and strong tendency to adsorb to organic carbon, this
chemical substance will readily partition to solids in wastewater treatment processes. Additionally,
biodegradation may represent a significant proportion of BBP's removal rate, as BBP is readily
biodegradable under aqueous, aerobic conditions (Table 4-1). Available information on overall WWTP
removal rates indicate a wide range of efficiencies, generally falling between 40 to 90 percent (Table
7-1), with biodegradation and adsorption as the dominant mechanisms. Overall, the data indicate that
BBP is likely to be present in biosolids but that it is unlikely to be persistent or mobile in soils after land
application of biosolids given its Koc, water solubility, and biodegradation half-life in soil (Table 4-1).
10 WEIGHT OF THE SCIENTIFIC EVIDENCE AND CONCLUSIONS
ON THE FATE AND TRANSPORT OF BBP
10.1 Strengths, Limitations, Assumptions, and Key Sources of Uncertainty
for the Fate and Transport Assessment
Given the consistent results from numerous high-quality, empirical studies, there is a robust confidence
that BBP:
• will partition to organic carbon and particulate matter in air, with a measured vapor pressure of
8.25x 10-6 mmHg (NLM. 2015; Howard et al.. 1985) and a log Koa of 9.2 (U.S. EPA. 2017)
(Sections 5 and 6.1);
• will readily biodegrade in aerobic, aqueous environments including during wastewater treatment
(Section 7.2) and in surface waters (Section 4.1). Biodegradation rates of BBP in water will
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depend on the microbial community, organic matter presence, and previous exposure/adaptation
to BBP.
• will readily biodegrade in aerobic surface sediments (Section 4.1), however fractions bound to
sediment are expected to present longer persistence until release by a shift in equilibrium;
• is expected to biodegrade under anaerobic conditions, however generally more slowly than under
aerobic conditions. As with aerobic degradation, anaerobic biodegradation rates of BBP are
likely to depend on the microbial community, organic matter presence, and previous
exposure/adaptation to BBP (Sections 4.1 and 6.2.2);
• will be removed in wastewater treatment plants at 40 to 90 percent, with sorption to sludge and
biodegradation both being significant removal mechanisms (Section 7.2);
• presents low bioconcentration potential in fish; however, monophthalates (monobutyl and
monobenzyl phthalate) exhibited slightly elevated bioconcentration potential as compared to
parent BBP (Section 8);
• will not biomagnify and will exhibit trophic dilution in aquatic species (Section 8);
• is likely to be present in biosolids, though is unlikely to be persistent or mobile in soils after land
application of biosolids given its Koc, water solubility, and biodegradation processes;
• will not exhibit substantial mobility to groundwater from soil or landfill environments, and will
tend to stay sorbed to solid organics in soil media and landfills; and
• is likely to be found in household dust (Section 6.1.2).
As a result of limited empirical studies identified, there is a moderate confidence that BBP:
• will not exhibit persistence in air, and undergo indirect photodegradation by reacting with
hydroxyl radicals in the atmosphere with a half4ife of 1.13 to 1.15 days (Section 4.3);
• will be removed in conventional drinking water treatment systems (Section 7.3);
• may show persistence in surface water, sediment, and soil proximal to continuous points of
release, in cases where the release rate exceeds the rate of biodegradation (Sections 3.2, 5);
• does not biodegrade in anaerobic environments (Section 5.2, 5.3);
• will undergo aerobic and anaerobic biodegradation in soil and landfill media under conducive
conditions (Sections 6.3.1 and 6.3.3, respectively);
• is expected to have a low tendency to migrate to groundwater, however explicit groundwater fate
studies are limited for BBP; and
• will not undergo appreciable hydrolysis in aqueous systems, as biodegradation is expected to
occur much more rapidly under most conditions (Sections 4.1 and 4.2); however, hydrolysis may
be important in deep, acidic, thermophilic landfill environments (Section 6.3.3).
As a result of no empirical studies identified, there is a slight confidence that BBP:
• presents low bioaccumulation potential in aquatic species (Section 8).
Findings that were found to have a robust weight of evidence supporting them had one or more high-
quality studies that were largely in agreement with each other. Findings that were said to have a
moderate weight of evidence were based on a mix of high and medium-quality studies that were largely
in agreement, but varied in sample size and consistence of findings, or when both modeling and
empirical information was used in support of the conclusion. Findings said to have a slight weight of
evidence had limited and contrasting empirical evidence in support of the conclusion.
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substances, Version 1.0: A generic TSCA systematic review protocol with chemical-specific
methodologies. (EPA Document #EPA-D-20-031). Washington, DC: Office of Chemical Safety
and Pollution Prevention. https://www.regulations.gov/document/EPA-HQ-OPPT-2021-0414-
0005
U.S. EPA. (2024a). Draft Data Quality Evaluation and Data Extraction Information for Environmental
Fate and Transport for Butyl Benzyl Phthalate (BBP). Washington, DC: Office of Pollution
Prevention and Toxics.
U.S. EPA. (2024b). Draft Data Quality Evaluation and Data Extraction Information for Physical and
Chemical Properties for Butyl Benzyl Phthalate (BBP). Washington, DC: Office of Pollution
Prevention and Toxics.
U.S. EPA. (2024c). Draft physical chemistry and fate and transport assessment for Dibutyl Phthalate
(DBP). Washington, DC: Office of Pollution Prevention and Toxics.
U.S. EPA. (2024d). Draft physical chemistry and fate and transport assessment for Diisobutyl phthalate
(DIBP). Washington, DC: Office of Pollution Prevention and Toxics.
U.S. EPA. (2024e). Draft Systematic Protocol for Butyl Benzyl Phthalate (BBP). Washington, DC:
Office of Pollution Prevention and Toxics.
U.S. EPA. (2025). Draft Risk Evaluation for Butyl Benzyl Phthalate (BBP). Washington, DC: Office of
Pollution Prevention and Toxics.
Verschueren. K. (1996). Handbook of environmental data on organic chemicals. New York, NY: Van
Nostrand Reinhold Company.
Vikelsoe. J: Thomsen. M: Carlsen. L. (2002). Phthalates and nonylphenols in profiles of differently
dressed soils. Sci Total Environ 296: 105-116. http://dx.doi.org/10.1016/50048-9697(02)00063-3
Vitali. M: Guidotti. M: Macilenti. G: Cremisini. C. (1997). Phthalate esters in freshwaters as markers of
contamination sources: A site study in Italy. Environ Int 23: 337-347.
http://dx.doi.org/10.1016/S0160-4120(97)00035-4
WA DOE. (2022). Survey of phthalates in Washington State waterbodies, 2021. (Publication 22-03-
027). Olympia, WA. https://apps.ecologv.wa.gov/publications/documents/2203027.pdf
Wang. W: Wu. FY: Huang. MJ: Kang. Y: Cheung. KC: Wong. MH. (2013). Size fraction effect on
phthalate esters accumulation, bioaccessibility and in vitro cytotoxicity of indoor/outdoor dust,
and risk assessment of human exposure. J Hazard Mater 261: 753-762.
http://dx.doi.Org/10.1016/i.ihazmat.2013.04.039
Westinghouse Electric Corporation. (1990). Remedial investigation report: Landfill area: Greenville,
South Carolina - Westinghouse project 4122-88-095b with attachments and cover letter dated
040590 [TSCA Submission], (EPA/OTS Doc #86-900000412). Greenville, SC: Hoechst
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Celanese Corporation.
https://ntrl.ntis.gov/NTRL/dashboard/searchResults/titleDetail/OTS0522975.xhtml
Westinghouse Electric Corporation. (1991). Hydrogeological investigation of the Hoechst Celanese
facility Spartanburg, South Carolina - Westinghouse project 4122-90-022A with attachments and
cover letter dated 052291 [TSCA Submission], (WESTINGHOUSE PROJECT 4122-90-022A.
OTS0529856. OTS0529856 86-910000890. TSCATS/417101). Hoechst Celanese Corporation.
https://ntrl.ntis.gov/NTRL/dashboard/searchResults/titleDetail/OTS0529856.xhtml
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Wilson. NK: Chuang. JC: Lyu. C: Menton. R; Morgan. MK. (2003). Aggregate exposures of nine
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Epidemiol 13: 187-202. http://dx.doi.org/10.1038/si.iea.750027Q
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http://dx.doi.org/10.1080/10807039.2Q18.1471341
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treatment systems. J Environ Sci 61: 49-58. http://dx.doi.Org/10.1016/i.ies.2017.02.021
Xie. Z; Ebinghaus. R; Temme. C: Caba. A: Ruck. W. (2005). Atmospheric concentrations and air-sea
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Xu. XR: Li. SX: Li. XY: Gu. JD: Chen. F: Li. XZ: Li. HB. (2009). Degradation of n-butyl benzyl
phthalate using Ti02/UV. J Hazard Mater 164: 527-532.
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Xu. XR: Li. X. (2009). Sorption behaviour of benzyl butyl phthalate on marine sediments: Equilibrium
assessments, effects of organic carbon content, temperature and salinity. Mar Chem 115: 66-71.
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Yuan. SY: Liu. C: Liao. CS: Chang. BY. (2002). Occurrence and microbial degradation of phthalate
esters in Taiwan river sediments. Chemosphere 49: 1295-1299. http://dx.doi.org/10.1016/s0045-
6535(02)00495-2
Zeng. F: Lin. Y: Cui. K: Wen. J: Ma. Y: Chen. H: Zhu. F: Ma. Z: Zeng. Z. (2010). Atmospheric
deposition of phthalate esters in a subtropical city. Atmos Environ 44: 834-840.
http://dx.doi.Org/10.1016/i.atmosenv.2009.l 1.029
Zhu. O: Jia. J: Zhang. K: Zhang. H: Liao. C. (2019). Spatial distribution and mass loading of phthalate
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Environ 656: 862-869. http://dx.doi.Org/10.1016/i.scitotenv.2018.l 1.458
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APPENDICES
Appendix A COMPLETE RESULTS FROM EPI Suite™ MODELING
CAS Number: 000085-68-7
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
EPI SUMMARY (v4.11)
Physical Property Inputs:
Log Kow (octanol-water)
Boiling Point (deg C)
Melting Point (deg C)
Vapor Pressure (mm Hg)
Water Solubility (mg/L)
Henry LC (atm-m3/mole)
4 . 73
370.00
-35.00
8 . 25E-006
2 . 69
7 . 1E-007
KOWWIN Program (vl.68) Results:
Log Kow(version 1.69 estimate): 4.84
Experimental Database Structure Match:
Name
CAS Num
Exp Log P
Exp Ref
BUTYL BENZYL PHTHALATE
000085-68-7
4.73
ELLINGTON,JT & FLOYD,TL
[1996)
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
+ + -
TYPE | NUM |
+ + -
- + +
| COEFF | VALUE
- + +
LOGKOW FRAGMENT DESCRIPTION
Frag
1
-CH3
[aliphatic carbon]
| 0.5473
| 0.5473
Frag
4
-CH2-
[aliphatic carbon]
| 0.4911
| 1.9644
Frag
12
Aromatic
Carbon
| 0.2940
| 3.5280
Frag
2
-C (=0)O
[ester, aromatic attach]
|-0.7121
| -1.4242
Const
Equation
Constant
| 0.2290
Log Kow
4 .8445
MPBPVP (vl.43) Program Results:
Experimental Database Structure Match:
Name : BUTYL BENZYL PHTHALATE
CAS Num : 000085-68-7
Exp MP (deg C)
Exp BP (deg C)
Exp VP (mm Hg)
(Pa )
-40.5
370
8.25E-06
1.10E-003
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Exp VP (deg C): 25
Exp VP ref : HOWARD,PH ET AL. (1985)
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
SUMMARY MPBPWIN vl.44 -¦
Boiling Point: 387.45 deg C (Adapted Stein and Brown Method)
Melting Point
Melting Point
Mean Melt Pt
Selected MP
50.75 deg C
112.57 deg C
81.66 deg C
61.05 deg C
(Adapted Joback Method)
(Gold and Ogle Method)
(Joback; Gold,Ogle Methods)
(Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 370.00 deg C (user entered))
(MP not used for liquids)
VP: 1.55E-005 mm Hg (Antoine Method)
: 0.00207 Pa (Antoine Method)
VP: 4.4E-005 mm Hg (Modified Grain Method)
: 0.00587 Pa (Modified Grain Method)
VP: 8.88E-005 mm Hg (Mackay Method)
: 0.0118 Pa (Mackay Method)
Selected VP: 4.4E-005 mm Hg (Modified Grain Method)
: 0.00587 Pa (Modified Grain Method)
TYPE | NUM |
BOIL DESCRIPTION | COEFF | VALUE
Group |
1
-CH3 |
21. 98
21. 98
Group |
4
-CH2- |
24.22
96.88
Group |
2
-COO- (ester) |
78 .85
157 .70
Group |
9
CH (aromatic) |
28 .53
256.77
Group |
3
-C (aromatic) |
30.76
92 .28
Corr |
1
Diester-type |
-35.00
-35 .00
* 1
Equation Constant |
198.18
RESULT-uncorr|
RESULT- corr |
BOILING POINT in deg Kelvin | 788.79
BOILING POINT in deg Kelvin | 660.61
BOILING POINT in deg C | 387.45
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
Group |
1
-CH3 |
o
\—1
lO
1
o
\—1
LO
1
Group |
4
-CH2-
11.27
| 45.08
Group |
2
-COO- (ester)
53 . 60
| 107.20
Group |
9
CH (aromatic)
8 .13
| 73.17
Group |
3
-C (aromatic)
37 . 02
| 111.06
Corr |
1
Diester-type
-130.00
| -130.00
* 1
Equation Constant
| 122.50
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RESULT | MELTING POINT in deg Kelvin | 323.91
| MELTING POINT in deg C | 50.75
Water Sol from Kow (WSKOW vl.42) Results:
Water Sol: 4.635 mg/L
Experimental Water Solubility Database Match:
Name
CAS Num
Exp WSol
Exp Ref
BUTYL BENZYL PHTHALATE
000085-68-7
2.69 mg/L (25 deg C)
HOWARD,PH ET AL. (1985)
SMILES : 0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
CHEM : Benzyl butyl phthalate
MOL FOR: C19 H20 04
MOL WT : 312.37
WSKOW vl.43 Results
Log Kow (estimated) : 4.84
Log Kow (experimental): 4.73
Cas No: 000085-68-7
Name : BUTYL BENZYL PHTHALATE
Refer : ELLINGTON,JT & FLOYD,TL (1996)
Log Kow used by Water solubility estimates: 4.73 (user entered)
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.693-0.96 log Kow-0.0092(Tm-25)-0.00314 MW + Correction
Melting Pt (Tm) = -35.00 deg C (Use Tm = 25 for all liquids)
Correction(s): Value
No Applicable Correction Factors
Log Water Solubility (in moles/L) : -4.829
Water Solubility at 25 deg C (mg/L): 4.635
WATERNT Program (vl.01) Results:
Water Sol (vl.01 est): 1.0791 mg/L
Experimental Water Solubility Database Match:
Name
CAS Num
Exp WSol
Exp Ref
BUTYL BENZYL PHTHALATE
000085-68-7
2.69 mg/L (25 deg C)
HOWARD,PH ET AL. (1985)
SMILES : 0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
CHEM : Benzyl butyl phthalate
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MOL FOR: C19 H20 04
MOL WT : 312.37
- + -
- + -
- +
| COEFF
- +
TYPE
NUM
WATER SOLUBILITY FRAGMENT DESCRIPTION
Frag |
1
-CH3
[aliphatic carbon]
|-0.3213
Frag |
4
-CH2-
[aliphatic carbon]
|-0.5370
Frag |
9
Aromatic
Carbon (C-H type)
|-0.3359
Frag |
2
-C (=0)0
[ester, aromatic attach]
| 0.7006
Frag |
3
Aromatic
Carbon (C-substituent type)
|-0.5400
Const |
Equation
Constant
Log Water Sol (moles/L) at 25 dec C
Water Solubility (mg/L) at 25 dec C
ECOSAR Program (vl.ll) Results:
ECOSAR Version 1.11 Results Page
SMILES
CHEM
CAS Num
ChemlDl
MOL FOR
MOL WT
Log Kow
Log Kow
Log Kow
Melt Pt
Melt Pt
Wat Sol
Wat Sol
Wat Sol
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC) c2
Benzyl butyl phthalate
C19 H20 04
312.37
4.845
4.73
-35.00
-40.50
4 . 635
2 . 69
2 . 69
(EPI Suite Kowwin vl.68 Estimate)
(User Entered)
(PhysProp DB exp value - for comparison only)
(deg C, User Entered for Wat Sol estimate)
(deg C, PhysProp DB exp value for Wat Sol est)
(mg/L, EPI Suite WSKowwin vl.43 Estimate)
(mg/L, User Entered)
(mg/L, PhysProp DB exp value)
Values used to Generate ECOSAR Profile
Log Kow: 4.845
Wat Sol: 2.69
(EPI Suite Kowwin vl.68 Estimate)
(mg/L, User Entered)
ECOSAR vl.ll Class-specific Estimations
Esters
ECOSAR Class Organism
Duration End Pt
Esters
Fish
96-hr
LC50
Esters
Daphnid
1
CO
LC50
Esters
Green Algae
96-hr
EC50
Esters
Fish
ChV
Esters
Daphnid
ChV
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Esters
Green Algae
ChV
0 .245
Esters
Fish (SW)
96-hr
LC50
1.164
Esters
Mysid
96-hr
LC50
0.282
Esters
Fish (SW)
ChV
0 .279
Esters
Mysid (SW)
ChV
0 . 063
Esters
Earthworm
14-day
LC50
492.947 *
Neutral Organic SAR
Fish
96-hr
LC50
0.716
(Baseline Toxicity)
Daphnid
48 -hr
LC50
0 .528
Green Algae
96-hr
EC50
1.166
Fish
ChV
0 .095
Daphnid
ChV
0 .107
Green Algae
ChV
0 .548
Note: * = asterisk
designates: Chemical may
not be soluble enough
to
measure this predicted effect. If the effect level exceeds the
water solubility by 10X, typically no effects at saturation (NES)
are reported.
Class Specific LogKow Cut-Offs
If the log Kow of the chemical is greater than the endpoint specific cut-offs
presented below, then no effects at saturation are expected for those
endpoints.
Esters:
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Baseline Toxicity SAR Limitations:
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
HENRYWIN (v3.20) Program Results:
Bond Est : 4.22E-008 atm-m3/mole
Group Est: 2.13E-009 atm-m3/mole
;4.28E-003 Pa-m3/mole)
(2.16E-004 Pa-m3/mole)
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
HENRYWIN v3.21 Results
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Experimental Database Structure Match:
Name
CAS Num
Exp HLC
Temper
Exp Ref
BUTYL BENZYL PHTHALATE
000085-68-7
1.2 6E-0 6 atm-m3/mole
25 deg C
VP/WSOL
0.128 Pa-m3/mole)
- + -
- + + -
| COMMENT |
CLASS
BOND CONTRIBUTION DESCRIPTION
VALUE
HYDROGEN
HYDROGEN
FRAGMENT
FRAGMENT
FRAGMENT
FRAGMENT
FRAGMENT
FRAGMENT
11 Hydrogen to Carbon
9 Hydrogen to Carbon
3 C-C
1 C-Car
2 C-0
12 Car-Car
2 Car-CO
2 CO-O
(aliphatic) Bonds
(aromatic) Bonds
-1.3164
-1.3886
0 .3489
0.1619
2.1709
3.1657
2.4775
0.1429
- + -
- + -
RESULT
BOND ESTIMATION METHOD for LWAPC VALUE
5 . 763
HENRYs LAW CONSTANT at 25 deg C = 4.22E-008 atm-m3/mole
= 1.73E-006 unitless
= 4.28E-003 Pa-m3/mole
- + -
- + +
| COMMENT | VALUE
GROUP CONTRIBUTION DESCRIPTION
- + -
1 CH2 (Car)(O)
1 CH3 (X)
2 CH2 (C)(C)
1 CH2 (C)(O)
9 Car-H (Car) (Car)
1 Car (C)(Car)(Car)
2 Car (Car)(Car) (CO)
2 CO (O) (Car)
2 O (C) (CO)
RESULT | GROUP ESTIMATION METHOD for LOG GAMMA VALUE |
+ +
HENRYs LAW CONSTANT at 25 deg C = 2.13E-009 atm-m3/mole
= 8.71E-008 unitless
= 2.16E-004 Pa-m3/mole
For Henry LC Comparison Purposes:
Exper Database: 1.26E-06 atm-m3/mole (1.28E-001 Pa-m3/mole)
User-Entered Henry LC: 7.100E-007 atm-m3/mole (7.194E-002 Pa-m3/mole)
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.261E-006 atm-m3/mole (1.277E-001 Pa-m3/mole)
VP: 8.25E-006 mm Hg (source: User-Entered)
WS: 2.69 mg/L (source: User-Entered)
Log Octanol-Air (KOAWIN vl.10) Results:
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December 2024
Log Koa: 9.267
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
KOAWIN vl.10 Results
(octanol/air) estimate:
(octanol/air) estimate:
Log Koa
Koa
Using:
Log Kow: 4.73 (user entered)
HenryLC: 7.1e-007 atm-m3/mole
267
8 5e + 0 0 9
(user entered)
Log Kaw: -4.537 (air/water part.coef.)
LogKow
LogKow
Henry LC
Henry LC
4.73 (exp database)
4.84 (KowWin estimate)
1.26e-006 atm-m3/mole
4.22e-008 atm-m3/mole
|exp database)
IHenryWin bond estimate)
Log Koa (octanol/air) estimate: 10.603 (from KowWin/HenryWin)
BIOWIN (v4.10) Program Results:
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
BIOWIN v4.10 Results
Biowinl (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks
Biowin4 (Primary Biodegradation Timeframe): Days
Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
+ +
TYPE | NUM |
+ --
- + -
- + -
- + -
- + -
Biowinl FRAGMENT DESCRIPTION
+ -
COEFF
Frag |
1
Frag |
2
Frag |
1
MolWt|
Const|
Linear C4 terminal chain [CCC-CH3]
Ester [-C (=0)-O-C]
Unsubstituted phenyl group (C6H5-)
Molecular Weight Parameter
Equation Constant
+=
0.1084
0 .1742
0 .1281
=+=
=+=
=+=
=+=
RESULT |
==========+=
Biowinl (Linear Biodeg Probability)
+ + -
TYPE | NUM |
+ + -
- + -
- + -
- + -
- + -
Biowin2 FRAGMENT DESCRIPTION
COEFF
Page 62 of 82
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PUBLIC RELEASE DRAFT
December 2024
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 1.8437 | 1.8437
Frag | 2 | Ester [-C(=0)-0-C] | 4.0795 | 8.1590
Frag | 1 | Unsubstituted phenyl group (C6H5-) | 1.7991 | 1.7991
MolWt| * | Molecular Weight Parameter | | -4.4356
===========+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 1.0000
===========+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
+ + -
TYPE | NUM |
+ + -
- + -
- + -
- + -
- + -
Biowin3 FRAGMENT DESCRIPTION
COEFF
VALUE
Frag |
1
Linear C4 terminal chain [CCC-CH3]
| 0.2983 |
0 .2983
Frag |
2
Ester [-C (=0)-O-C]
| 0.1402 |
0.2804
Frag |
1
Unsubstituted phenyl group (C6H5-)
| 0.0220
0.0220
MolWt|
Molecular Weight Parameter
1 1
-0.6903
Const|
Equation Constant
1 1
3 .1992
=+=
=+=
RESULT | Biowin3 (Survey Model
Ultimate Biodeg) |
===================+=
| 3.1096
=+=========
+ +
TYPE | NUM |
+ --
- + -
- + -
- + -
- + -
Biowin4 FRAGMENT DESCRIPTION
+ -
COEFF
VALUE
Frag |
1
Linear C4 terminal chain [CCC-CH3]
| 0.2691 |
0 .2691
Frag |
2
Ester [-C (=0)-O-C]
| 0.2290 |
0 . 4579
Frag |
1
Unsubstituted phenyl group (C6H5-)
| 0.0049
0 .0049
MolWt|
Molecular Weight Parameter
1 1
-0 . 4507
Const|
Equation Constant
1 1
3 .8477
=+ =
=+=
=+=
RESULT | Biowin4 (Survey Model - Primary Biodeg) |
==========+============================================+=
| 4.1289
=+=========
Result Classification: 5.00 -> hours 4.00 -> days
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
3.00 -> weeks
+ +
TYPE | NUM |
+ --
- + -
- + -
- + -
- + -
Biowin5 FRAGMENT DESCRIPTION
+ -
COEFF
VALUE
Frag |
2
Ester [-C (=0)-O-C]
| 0.2319 |
0 .4638
Frag |
1
Aromatic-CH2
| 0.0268 |
0.0268
Frag |
9
Aromatic-H
| 0.0004 |
0 .0036
Frag |
1
Methyl [-CH3]
| 0.0399 |
0 . 0399
Frag |
3
-CH2- [linear]
| 0.0255 |
0.0766
MolWt|
Molecular Weight Parameter
1 1
-0 . 4926
Const|
Equation Constant
1 1
0 .5544
=+ =
=+=
=+=
RESULT | Biowin5 (MITI Linear Biodeg Probability) |
==========+============================================+=
| 0.6725
=+=========
+ +
TYPE | NUM |
+ --
- + -
- + -
- + -
- + -
Biowin6 FRAGMENT DESCRIPTION
COEFF
-- +
Frag | 2 | Ester [-C(=0)-0-C]
Frag | 1 | Aromatic-CH2
VALUE
| 1.5833 | 3.1665
| -0.0366 | -0.0366
Page 63 of 82
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PUBLIC RELEASE DRAFT
December 2024
Frag | 9 | Aromatic-H | 0.0342 | 0.3077
Frag | 1 | Methyl [-CH3] | 0.2351 | 0.2351
Frag | 3 | -CH2- [linear] | 0.2345 | 0.7035
MolWt| * | Molecular Weight Parameter | | -5.4040
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.6535
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable
+ + + +
TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE
+ + + +
Frag |
1
Linear C4 terminal chain [CCC-CH3]
| -0.3177
-0 .3177
Frag |
2
Ester [-C (=0)-O-C]
| 0.1719
0 .3437
Frag |
1
Unsubstituted phenyl group (C6H5-)
| 0.2182
0 .2182
Frag |
1
Aromatic-CH2
| -0.0073
-0 .0073
Frag |
9
Aromatic-H
| -0.0954
-0 .8589
Frag |
1
Methyl [-CH3]
| -0.0796
-0 . 0796
Frag |
3
-CH2- [linear]
| 0.0260
0.0780
Const|
Equation Constant
1
0.8361
RESULT
+
Biowin7 (Anaerobic Linear Biodeg Prob)
+
+
| 0.2124
+
+
+
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
Ready Biodegradability Prediction: (YES or NO)
Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey
model) result is "weeks" or faster (i.e. "days", "days to weeks", or
"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then
the prediction is YES (readily biodegradable). If this condition is not
satisfied, the prediction is NO (not readily biodegradable). This method
is based on application of Bayesian analysis to ready biodegradation data
(see Help). Biowin5 and 6 also predict ready biodegradability, but for
degradation in the OECD301C test only; using data from the Chemicals
Evaluation and Research Institute Japan (CERIJ) database.
BioHCwin (vl.01) Program Results:
SMILES : 0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
CHEM : Benzyl butyl phthalate
MOL FOR: C19 H20 04
MOL WT : 312.37
BioHCwin vl.01 Results
NO Estimate Possible ... Structure NOT a Hydrocarbon
(Contains atoms other than C, H or S (-S-))
Page 64 of 82
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December 2024
AEROWIN Program (vl.00) Results:
Sorption to aerosols (25 Dec C)[AEROWIN vl.00]:
Vapor pressure (liquid/subcooled): 0.0011 Pa (8.25E-006 mm Hg)
Log Koa (Koawin est ): 9.267
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00273
Octanol/air (Koa) model: 0.000454
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0897
Mackay model : 0.17 9
Octanol/air (Koa) model: 0.035
AOP Program (vl.92) Results:
SMILES
CHEM
MOL FOR
MOL WT
0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
Benzyl butyl phthalate
C19 H20 04
312.37
SUMMARY (AOP
Hydrogen Abstraction =
Reaction with N, S and -OH =
Addition to Triple Bonds =
Addition to Olefinic Bonds =
**Addition to Aromatic Rings
Addition to Fused Rings =
vl.92) : HYDROXYL RADICALS (25 deg C)
6.0617 E-12 cm3/molecule-sec
0.0000 E-12 cm3/molecule-sec
0.0000 E-12 cm3/molecule-sec
0.0000 E-12 cm3/molecule-sec
4.9875 E-12 cm3/molecule-sec
0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 11.0492 E-12 cm3/molecule-sec
HALF-LIFE =
HALF-LIFE =
0.968 Days (12-hr day; 1.5E6 OH/cm3)
11.616 Hrs
** Designates Estimation(s) Using ASSUMED Value(s)
-- SUMMARY (AOP vl.91): OZONE REACTION (25 deg C)
****** N0 OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database: NO Structure Matches
Fraction sorbed to airborne particulates (phi):
0.134 (Junge-Pankow, Mackay avg)
0.035 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
KOCWIN Program (v2.00) Results:
SMILES : 0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
CHEM : Benzyl butyl phthalate
MOL FOR: C19 H20 04
MOL WT : 312.37
Experimental Database Structure Match:
Name : BENZYL BUTYL PHTHALATE
Page 65 of 82
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December 2024
CAS Num : 000085-68-7
Exp LogKoc: 3.72
Exp Ref : Schuurmann,G et al (2006); SRC (1991)
KOCWIN v2.01 Results
Koc Estimate from MCI:
First Order Molecular Connectivity Index : 11.220
Non-Corrected Log Koc (0.5213 MCI + 0.60) : 6.4485
Fragment Correction(s):
2 Ester (-C-C0-0-C-) or (HCO-O-C) : -2.5939
Corrected Log Koc : 3.8546
Estimated Koc: 7155 L/kg <===========
Koc Estimate from Log Kow:
Log Kow (User entered ) : 4.73
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 3.5414
Fragment Correction(s):
2 Ester (-C-C0-0-C-) or (HCO-O-C) : -0.1312
Corrected Log Koc : 3.4102
Estimated Koc: 2572 L/kg <===========
HYDROWIN Program (v2.00) Results:
SMILES : 0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
CHEM : Benzyl butyl phthalate
MOL FOR: C19 H20 04
MOL WT : 312.37
HYDROWIN v2.00 Results
NOTE: Fragment(s) on this compound are NOT available from the fragment
library. Substitute(s) have been used!!! Substitute R1, R2, R3,
or R4 fragments are marked with double astericks
ESTER: Rl-C(=0)-0-R2 ** R1: -Phenyl
R2: -CH2-Phenyl
NOTE: Ortho-position fragments(s) on Phenyl ring(s) are NOT CONSIDERED!!
Kb hydrolysis at atom # 2: 1.264E-001 L/mol-sec
ESTER: Rl-C(=0)-0-R2 R1: -Phenyl
R2: n-Butyl-
Kb hydrolysis at atom # 16: 3.204E-002 L/mol-sec
Total Kb for pH > 8 at 25 deg C : 1.585E-001 L/mol-sec
Kb Half-Life at pH 8: 50.617 days
Kb Half-Life at pH 7: 1.386 years
Page 66 of 82
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December 2024
BCFBAF Program (v3.01) Results:
SMILES : 0=C(OCc(ccccl)cl)c(c(ccc2)C(=0)OCCCC)c2
CHEM : Benzyl butyl phthalate
MOL FOR: C19 H20 04
MOL WT : 312.37
BCFBAF v3.01 --
Summary Results:
Log BCF (regression-based estimate)
Biotransformation Half-Life (days)
Log BAF (Arnot-Gobas upper trophic)
2.79 (BCF = 614 L/kg wet-wt)
0.0354 (normalized to 10 g fish)
1.60 (BAF = 40.1 L/kg wet-wt)
Experimental BCF-kM Database Structure Match:
Name
CAS Num
Log BCF
BCF Data
Log Bio HL
Bio Data
1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
000085-68-7
1.2129 (BCF = 16.3 L/kg wet-wt)
BCF Nonlonic Training Set
-1.029 (Bio Half-life = 0.0935 days)
kM Training Set
Log Kow (experimental): 4.73
Log Kow used by BCF estimates: 4.73 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.7J
(BCF = 613.6 L/kg wet-wt)
Whole Body Primary Biotransformation Rate Estimate for Fish:
+ + + +
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
+ + + +
Frag
1
Linear C4 terminal chain [CCC-CH3]
| 0.0341
0 . 0341
Frag
2
Ester [-C (=0)-O-C]
| -0.7605
-1.5211
Frag
1
Unsubstituted phenyl group (C6H5-)
| -0.6032
-0.6032
Frag
1
Aromatic-CH2
| -0.3365
-0.3365
Frag
9
Aromatic-H
| 0.2664
2 .3974
Frag
1
Methyl [-CH3]
| 0.2451
0.2451
Frag
3
-CH2- [linear]
| 0.0242
0 . 0726
Frag
2
Benzene
| -0.4277
-0 .8555
L Kow
Log Kow = 4.73 (user-entered )
| 0.3073
1. 4537
MolWt
Molecular Weight Parameter
1
-0.8010
Const
Equation Constant
1
-1.5371
RESULT
+
LOG Bio
Half-Life
(days)
+
+
| -1.4514
RESULT
Bio
Half-Life
(days)
1
| 0.03537
NOTE
+
Bio Half-Life
Normalized
to 10
g fish at 15 deg C
+
+
Biotransformation Rate Constant:
Page 67 of 82
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December 2024
kM (Rate Constant):
kM (Rate Constant):
kM (Rate Constant):
kM (Rate Constant):
19.6 /day (10 gram fish)
11.02 /day (100 gram fish)
6.197 /day (1 kg fish)
3.485 /day (10 kg fish)
Note: For Arnot-Gobas
Exp Km Half-Life =
Arnot-Gobas BCF & BAF
Estimated Log BCF
Estimated Log BAF
Estimated Log BCF
Estimated Log BAF
Estimated Log BCF
Estimated Log BAF
BCF & BAF Methods, Experimental Km Half-Life Used:
-1.029 days (Rate Constant = 7.41/ day)
Methods (including biotransformation rate estimates)
(upper trophic) =
(upper trophic) =
(mid trophic)
(mid trophic)
(lower trophic) =
(lower trophic) =
1. 603
(BCF =
40.08
L/kg
wet-wt)
1. 603
(BAF =
40.08
L/kg
wet-wt)
1.735
(BCF =
54.36
L/kg
wet-wt)
1.737
(BAF =
54.54
L/kg
wet-wt)
1.775
(BCF =
59 . 62
L/kg
wet-wt)
1.796
(BAF =
62 .46
L/kg
wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 3.684 (BCF = 4827 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 4.577 (BAF = 3.777e+004 L/kg wet-wt)
Volatilization From Water
Chemical Name: Benzyl butyl phthalate
Molecular Weight
Water Solubility
Vapor Pressure
Henry's Law Constant
312 .37 g/mole
2.69 ppm
8 . 25E-006 mm Hg
7.1E-007 atm-m3/mole
RIVER
Water Depth (meters): 1
Wind Velocity (m/sec): 5
Current Velocity (m/sec): 1
(entered by user)
LAKE
1
0.5
0 . 05
HALF-LIFE (hours)
HALF-LIFE (days )
HALF-LIFE (years)
1459
60 . 8
0 .1665
1.607E+004
669.5
1.833
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility
(using Biowin/EPA draft method)
PROPERTIES OF: Benzyl butyl phthalate
Molecular weight (g/mol)
Aqueous solubility (mg/1)
Vapour pressure (Pa)
(atm)
(mm Hg)
Henry 's law constant (Atm-m3/mol)
Air-water partition coefficient
Octanol-water partition coefficient (Kow)
312.37
2 . 69
0 .00109991
1. 08553E-008
8.25E-00 6
7.1E-007
2.90369E-005
53703 .2
Page 68 of 82
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December 2024
Log Kow 4.73
Biomass to water partition coefficient 10741.4
Temperature [deg C] 25
Biodeg rate constants (hA-l),half life in biomass (h) and in 2000 mg/L MLSS
(h) :
-Primary tank
-Aeration tank
-Settling tank
0 . 07
0 . 73
0 . 73
9.56
0.96
0.96
10.00
1.00
1.00
STP Overall Chemical Mass Balance:
g/h
Influent 1.00E+001
mol/h
3 . 2E-002
percent
100.00
Primary sludge 1.82E+000
Waste sludge 1.14E-002
Primary volatilization 5.44E-005
Settling volatilization 1.33E-006
Aeration off gas 4.08E-006
Primary biodegradation 5.56E+000
Settling biodegradation 1.50E-001
Aeration biodegradation 2.44E+000
Final water effluent 1.45E-002
5 . 8E-003
3.7E-005
1.7E-007
4 . 3E-009
1.3E-008
1. 8E-002
4 . 8E-004
7 . 8E-003
4.6E-005
18.20
0 .11
0 .00
0 .00
0 .00
55 . 63
1.50
24.41
0 .14
Total removal
Total biodegradation
9.99E+000
8.15E+000
3.2E-002
2 . 6E-002
;** Total removal recommended maximum is 95 percent)
Level III Fugacity Model (Full-Output): User Koc
99.86
81.54
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Mass Amount
(percent)
Air 3.32
Water 21.6
Soil 59.5
Sediment 15.6
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
1000
0
Air
Water
Soil
Fugacity
(atm)
1.52e-011
1.54e-012
3 . 02e-014
Sediment 3.56e-013
Reaction
(kg/hr)
643
813
1.12e + 0 03
65 . 3
Advection
(kg/hr)
216
141
0
2 . 03
Reaction
(percent)
21.4
27 .1
37.3
2 .18
Advection
(percent)
7.21
4 . 69
0
0 . 0678
Persistence Time: 217 hr
Reaction Time: 247 hr
Page 69 of 82
-------
2853
2854
2855
2856
2857
2858
2859
2860
2861
2862
2863
2864
2865
2866
2867
2868
2869
2870
2871
2872
2873
2874
2875
2876
2877
2878
2879
2880
2881
2882
2883
2884
2885
2886
2887
2888
2889
2890
2891
2892
2893
2894
2895
2896
2897
2898
2899
2900
2901
2902
2903
2904
2905
2906
2907
2908
2909
PUBLIC RELEASE DRAFT
December 2024
Advection Time:
Percent Reacted: 88
Percent Advected: 12
1.82e+003 hr
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
3 .32
21. 6
(19.4)
(0 . 0522)
suspended sediment
Soil 59.5
Sediment 15.6
Half-Life
(hr)
23 .3
120
:2.11)
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): EQC Default
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Water
Soil
Sediment
Mass Amount
(percent)
3 . 65
24 . 9
65.5
5 .96
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
1000
0
Air
Water
Soil
Fugacity
(atm)
1.52e-011
1.73e-012
9 . 92e-014
Sediment 4.06e-013
Reaction
(kg/hr)
643
851
1.12e + 0 03
22 . 6
Advection
(kg/hr)
216
147
0
0 .705
Reaction
(percent)
21.4
28.4
37.3
0 .754
Advection
(percent)
7.21
4 . 91
0
0 . 0235
Persistence Time: 197 hr
Reaction Time: 225 hr
Advection Time: 1.62e+003 hr
Percent Reacted: 87.9
Percent Advected: 12.1
Page 70 of 82
-------
2910
2911
2912
2913
2914
2915
2916
2917
2918
2919
2920
2921
2922
2923
2924
2925
2926
2927
2928
2929
2930
2931
2932
2933
2934
2935
2936
2937
2938
2939
2940
2941
2942
2943
2944
2945
2946
2947
2948
2949
2950
2951
2952
2953
2954
2955
2956
2957
2958
2959
2960
2961
2962
2963
2964
2965
2966
PUBLIC RELEASE DRAFT
December 2024
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
3 . 65
24 . 9
(24)
(0 . 0645)
suspended sediment
Soil 65.5
Sediment 5.96
Half-Life
(hr)
23 .3
120
;0.794)
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): User Koc
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Air
Water
Soil
Sediment
Mass Amount
(percent)
31.7
4.51
60 . 6
3.26
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
0
0
0
Air
Water
Soil
Fugacity
(atm)
1.52e-011
3 .37e-014
3 .21e-015
Sediment 7.78e-015
Reaction
(kg/hr)
642
17 . 8
119
1. 43
Advection
(kg/hr)
216
3 .08
0
0.0445
Reaction
(percent)
64.2
I.78
II. 9
0 .143
Advection
(percent)
21.6
0.308
0
0 .00445
Persistence Time: 68.2 hr
Reaction Time: 87.3 hr
Advection Time: 311 hr
Percent Reacted: 78.1
Percent Advected: 21.9
Water Compartment Percents:
Mass Amount
(percent)
Half-Life
(hr)
Emissions
(kg/hr)
Page 71 of 82
-------
2967
2968
2969
2970
2971
2972
2973
2974
2975
2976
2977
2978
2979
2980
2981
2982
2983
2984
2985
2986
2987
2988
2989
2990
2991
2992
2993
2994
2995
2996
2997
2998
2999
3000
3001
3002
3003
3004
3005
3006
3007
3008
3009
3010
3011
3012
3013
3014
3015
3016
3017
3018
3019
3020
3021
3022
3023
Air
Water
water
biota
31.7
4.51
(4.06)
(0.0109)
suspended sediment
Soil 60.6
Sediment 3.26
PUBLIC RELEASE DRAFT
December 2024
23.3 1000
120 0
;0.441)
240 0
1.0 8 e + 0 0 3 0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): EQC Default
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Water
Soil
Sediment
Mass Amount
(percent)
32 .3
4 .82
61.7
1.15
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
0
0
0
Air
Water
Soil
Fugacity
(atm)
1.52e-011
3 .79e-014
1. 06e-014
Sediment 8.87e-015
Reaction
(kg/hr)
642
18 . 6
119
0 .495
Advection
(kg/hr)
216
3 .22
0
0 .0154
Reaction
(percent)
64.2
I.86
II. 9
0.0495
Advection
(percent)
21.6
0 .322
0
0.00154
Persistence Time: 66.9 hr
Reaction Time: 85.7 hr
Advection Time: 305 hr
Percent Reacted: 78.1
Percent Advected: 21.9
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
32 .3
4 .82
(4.65)
(0 . 0125)
Half-Life
(hr)
23 .3
120
Emissions
(kg/hr)
1000
0
Page 72 of 82
-------
3024
3025
3026
3027
3028
3029
3030
3031
3032
3033
3034
3035
3036
3037
3038
3039
3040
3041
3042
3043
3044
3045
3046
3047
3048
3049
3050
3051
3052
3053
3054
3055
3056
3057
3058
3059
3060
3061
3062
3063
3064
3065
3066
3067
3068
3069
3070
3071
3072
3073
3074
3075
3076
3077
3078
3079
3080
suspended sediment
Soil 61.7
Sediment 1.15
PUBLIC RELEASE DRAFT
December 2024
;0.154)
240 0
1.0 8 e + 0 0 3 0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): User Koc
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Mass Amount
(percent)
Air 0.00876
Water 58
Soil 0.0167
Sediment 41.9
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
0
0
Air
Water
Soil
Sediment
Fugacity
(atm)
1. 47e-014
1.51e-012
3 . 09e-018
3 . 48e-013
Reaction
(kg/hr)
0 . 618
795
0 .115
63 . 8
Advection
(kg/hr)
0.208
138
0
1. 99
Reaction
(percent)
0 . 0618
79.5
0.0115
6.38
Advection
(percent)
0.0208
13 . 8
0
0 .199
Persistence Time: 237 hr
Reaction Time: 276 hr
Advection Time: 1.7e+003 hr
Percent Reacted: 86
Percent Advected: 14
Water Compartment Percents:
Mass Amount
(percent)
Air 0.00876
Water 58
water (52.2)
biota (0.14)
suspended sediment
Soil 0.0167
Sediment 41.9
Half-Life
(hr)
23 .3
120
:5.
5)
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
Page 73 of 82
-------
3081
3082
3083
3084
3085
3086
3087
3088
3089
3090
3091
3092
3093
3094
3095
3096
3097
3098
3099
3100
3101
3102
3103
3104
3105
3106
3107
3108
3109
3110
3111
3112
3113
3114
3115
3116
3117
3118
3119
3120
3121
3122
3123
3124
3125
3126
3127
3128
3129
3130
3131
3132
3133
3134
3135
3136
3137
PUBLIC RELEASE DRAFT
December 2024
Half-Lives (hr), (based upon user-entry):
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): EQC Default
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Water
Soil
Sediment
Mass Amount
(percent)
0 .0131
80.7
0 . 025
19.3
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
0
0
Air
Water
Soil
Fugacity
(atm)
1. 64e-014
1.69e-012
1.14e-017
Sediment 3.97e-013
Reaction
(kg/hr)
0 . 694
832
0 .129
22 .1
Advection
(kg/hr)
0 .233
144
0
0 . 69
Reaction
(percent)
0 .0694
83.2
0 .0129
2.21
Advection
(percent)
0 . 0233
14 . 4
0
0 . 069
Persistence Time: 179 hr
Reaction Time: 209 hr
Advection Time: 1.23e+003 hr
Percent Reacted: 85.5
Percent Advected: 14.5
Water Compartment Percents:
Mass Amount
(percent)
Air 0.0131
Water 8 0.7
water (77.9)
biota (0 .209)
suspended sediment
Soil 0.025
Sediment 19.3
Half-Life
(hr)
23 .3
120
[2.51)
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
Half-Lives (hr), (based upon user-entry):
Air: 2 3.3
Water: 120
Soil: 240
Page 74 of 82
-------
3138
3139
3140
3141
3142
3143
3144
3145
3146
3147
3148
3149
3150
3151
3152
3153
3154
3155
3156
3157
3158
3159
3160
3161
3162
3163
3164
3165
3166
3167
3168
3169
3170
3171
3172
3173
3174
3175
3176
3177
3178
3179
3180
3181
3182
3183
3184
3185
3186
3187
3188
3189
3190
3191
3192
3193
3194
PUBLIC RELEASE DRAFT
December 2024
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): User Koc
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Air
Water
Soil
Sediment
Mass Amount
(percent)
6.23e-005
0.00337
100
0 .00243
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
0
0
1000
0
Air
Water
Soil
Fugacity
(atm)
1.52e-016
1.28e-016
2 . 7e-014
Sediment 2.95e-017
Reaction
(kg/hr)
0.00641
0.0673
le+003
0.0054
Advection
(kg/hr)
0.00216
0.0117
0
0.000168
Reaction
(percent)
0 .000641
0 .00673
100
0 .00054
Advection
(percent)
0 .000216
0 .00117
0
1. 68e-005
Persistence Time:
Reaction Time:
Advection Time:
Percent Reacted:
Percent Advected:
346 hr
346 hr
2 . 48e + 007 hr
100
0.0014
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
6.23e-005
0.00337
(0.00303)
(8.13e-006)
Half-Life
(hr)
23 .3
120
suspended sediment
Soil 100
Sediment 0.00243
;0 . 000329)
240
1. 08e + 003
Emissions
(kg/hr)
0
0
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Page 75 of 82
-------
3195
3196
3197
3198
3199
3200
3201
3202
3203
3204
3205
3206
3207
3208
3209
3210
3211
3212
3213
3214
3215
3216
3217
3218
3219
3220
3221
3222
3223
3224
3225
3226
3227
3228
3229
3230
3231
3232
3233
3234
3235
3236
3237
3238
3239
3240
3241
3242
3243
3244
3245
3246
3247
3248
3249
3250
3251
Water: 1000
Sediment: 5e+004
PUBLIC RELEASE DRAFT
December 2024
Level III Fugacity Model (Full-Output): EQC Default
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Water
Soil
Sediment
Mass Amount
(percent)
0 .000204
0.00828
100
0 .00198
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
0
0
1000
0
Air
Water
Soil
Fugacity
(atm)
4 . 99e-016
3 .37e-016
8 . 86e-014
Sediment 7.9e-017
Reaction
(kg/hr)
0.0211
0.166
le+003
0 .0044
Advection
(kg/hr)
0 .00708
0.0287
0
0 .000137
Reaction
(percent)
0 .00211
0 .0166
100
0 .00044
Advection
(percent)
0.000708
0.00287
0
1.37e-005
Persistence Time:
Reaction Time:
Advection Time:
Percent Reacted:
Percent Advected:
346 hr
346 hr
9.65e + 0 0 6 hr
100
0.00359
Water Compartment Percents:
Mass Amount
Half-Life
(percent) (hr)
Air 0.000204 23.3
Water 0.00828 120
water (0 .008)
biota (2.15e-005)
suspended sediment (0.000264)
Soil 100 240
Sediment 0.00198 1.08e+003
Emissions
(kg/hr)
0
0
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Page 76 of 82
-------
3252
3253
3254
3255
3256
3257
3258
3259
3260
3261
3262
3263
3264
3265
3266
3267
3268
3269
3270
3271
3272
3273
3274
3275
3276
3277
3278
3279
3280
3281
3282
3283
3284
3285
3286
3287
3288
3289
3290
3291
3292
3293
3294
3295
3296
3297
3298
3299
3300
3301
3302
3303
3304
3305
3306
3307
3308
PUBLIC RELEASE DRAFT
December 2024
Level III Fugacity Model (Full-Output): User Koc
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Air
Water
Soil
Sediment
Mass Amount
(percent)
7 .08
46.1
13 .5
33 .3
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
0
0
Air
Water
Soil
Fugacity
(atm)
1.52e-011
1.54e-012
3 .22e-015
Sediment 3.56e-013
Reaction
(kg/hr)
643
813
119
65 . 3
Advection
(kg/hr)
216
141
0
2 . 03
Reaction
(percent)
32.2
40.7
5 . 97
3.26
Advection
(percent)
10 . 8
7 .04
0
0 .102
Persistence Time: 153 hr
Reaction Time: 186 hr
Advection Time: 851 hr
Percent Reacted: 82
Percent Advected: 18
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
7 .08
46.1
(41.5)
(0.111)
suspended sediment
Soil 13.5
Sediment 33.3
Half-Life
(hr)
23 .3
120
,51)
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): EQC Default
Chem Name : BBP
Molecular Wt: 312.37
Page 77 of 82
-------
3309
3310
3311
3312
3313
3314
3315
3316
3317
3318
3319
3320
3321
3322
3323
3324
3325
3326
3327
3328
3329
3330
3331
3332
3333
3334
3335
3336
3337
3338
3339
3340
3341
3342
3343
3344
3345
3346
3347
3348
3349
3350
3351
3352
3353
3354
3355
3356
3357
3358
3359
3360
3361
3362
3363
3364
3365
Henry's LC
Vapor Press
Log Kow
Soil Koc
PUBLIC RELEASE DRAFT
December 2024
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Water
Soil
Sediment
Mass Amount
(percent)
8.81
60
16.8
14 . 4
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
0
0
Air
Water
Soil
Fugacity
(atm)
1.52e-011
1.73e-012
1. 06e-014
Sediment 4.06e-013
Reaction
(kg/hr)
643
851
119
22 . 6
Advection
(kg/hr)
216
147
0
0 .705
Reaction
(percent)
32.2
42 .5
5 . 97
1.13
Advection
(percent)
10 . 8
7.36
0
0.0353
Persistence Time: 123 hr
Reaction Time: 150 hr
Advection Time: 67 4 hr
Percent Reacted: 81.8
Percent Advected: 18.2
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
8.81
60
(57.9)
(0.156)
suspended sediment
Soil 16.8
Sediment 14.4
Half-Life
(hr)
23 .3
120
, 91)
240
1. 08e + 003
Emissions
(kg/hr)
1000
1000
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): User Koc
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Page 78 of 82
-------
3366
3367
3368
3369
3370
3371
3372
3373
3374
3375
3376
3377
3378
3379
3380
3381
3382
3383
3384
3385
3386
3387
3388
3389
3390
3391
3392
3393
3394
3395
3396
3397
3398
3399
3400
3401
3402
3403
3404
3405
3406
3407
3408
3409
3410
3411
3412
3413
3414
3415
3416
3417
3418
3419
3420
3421
3422
PUBLIC RELEASE DRAFT
December 2024
Air
Water
Soil
Sediment
Mass Amount
(percent)
5.21
0 .745
93 .5
0 .538
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
1000
0
1000
0
Air
Water
Soil
Sediment
Fugacity
(atm)
1.52e-011
3 .39e-014
3 . 02e-014
7 . 81e-015
Reaction
(kg/hr)
642
17 . 8
1.12e + 0 03
1. 43
Advection
(kg/hr)
216
3 .09
0
0 .0446
Reaction
(percent)
32 .1
0 . 892
56
0 . 0716
Advection
(percent)
10 . 8
0 .154
0
0 .00223
Persistence Time: 207 hr
Reaction Time: 233 hr
Advection Time: 1.89e+003 hr
Percent Reacted: 89
Percent Advected: 11
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
5.21
0 .745
(0.671)
(0.0018)
suspended sediment
Soil 93.5
Sediment 0.538
Half-Life
(hr)
23 .3
120
;0 . 0729)
240
1. 08e + 003
Emissions
(kg/hr)
1000
0
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): EQC Default
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Mass Amount
(percent)
5.23
Half-Life
(hr)
23 .3
Emissions
(kg/hr)
1000
Page 79 of 82
-------
3423
3424
3425
3426
3427
3428
3429
3430
3431
3432
3433
3434
3435
3436
3437
3438
3439
3440
3441
3442
3443
3444
3445
3446
3447
3448
3449
3450
3451
3452
3453
3454
3455
3456
3457
3458
3459
3460
3461
3462
3463
3464
3465
3466
3467
3468
3469
3470
3471
3472
3473
3474
3475
3476
3477
3478
3479
Water
Soil
Sediment
0.787
93 . 8
0.188
PUBLIC RELEASE DRAFT
December 2024
120
240
1. 08e + 003
0
1000
0
Air
Water
Soil
Sediment
Fugacity
(atm)
1.52e-011
3 . 82e-014
9 . 92e-014
8.95e-015
Reaction
(kg/hr)
642
18 . 8
1.12e + 0 03
0 .499
Advection
(kg/hr)
216
3 .25
0
0 .0156
Reaction
(percent)
32 .1
0 . 938
55 . 9
0 . 025
Advection
(percent)
10 . 8
0 .162
0
0.000778
Persistence Time: 207 hr
Reaction Time: 232 hr
Advection Time: 1.88e+003 hr
Percent Reacted: 89
Percent Advected: 11
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
5.23
0.787
(0 .759)
(0.00204)
suspended sediment
Soil 93.8
Sediment 0.188
Half-Life
(hr)
23 .3
120
;0 . 0251)
240
1. 08e + 003
Emissions
(kg/hr)
1000
0
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): User Koc
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
7.24e+004 (user-entered)
Mass Amount
(percent)
Air 0.0036
Water 23.6
Soil 59.3
Sediment 17
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
1000
0
Page 80 of 82
-------
3480
3481
3482
3483
3484
3485
3486
3487
3488
3489
3490
3491
3492
3493
3494
3495
3496
3497
3498
3499
3500
3501
3502
3503
3504
3505
3506
3507
3508
3509
3510
3511
3512
3513
3514
3515
3516
3517
3518
3519
3520
3521
3522
3523
3524
3525
3526
3527
3528
3529
3530
3531
3532
3533
3534
3535
3536
Air
Water
Soil
Fugacity
(atm)
1. 48e-014
1.51e-012
2 . 7e-014
PUBLIC RELEASE DRAFT
December 2024
Sediment 3.48e-013
Reaction
(kg/hr)
0 . 625
796
le+003
63 . 8
Advection
(kg/hr)
0.21
138
0
1. 99
Reaction
(percent)
0 . 0312
39.8
50
3 .19
Advection
(percent)
0 .0105
6.89
0
0.0995
Persistence Time:
Reaction Time:
Advection Time:
Percent Reacted:
Percent Advected:
292 hr
314 hr
4 .17e + 0 0 3 hr
93
7
Water Compartment Percents:
Air
Water
water
biota
Mass Amount
(percent)
0 .0036
23 . 6
(21.2)
(0.057)
suspended sediment
Soil 59.3
Sediment 17
Half-Life
(hr)
23 .3
120
:2.31)
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
1000
0
Half-Lives (hr), (based upon user-entry)
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Level III Fugacity Model (Full-Output): EQC Default
Chem Name
Molecular Wt
Henry's LC
Vapor Press
Log Kow
Soil Koc
BBP
312.37
7.61e-007 atm-m3/mole (user-entered)
8.25e-006 mm Hg (user-entered)
4.73 (user-entered)
2.2e+004 (EQC Model Default)
Air
Water
Soil
Sediment
Mass Amount
(percent)
0 .00458
27 .5
66
6.57
Half-Life
(hr)
23 .3
120
240
1. 08e + 003
Emissions
(kg/hr)
0
1000
1000
0
Air
Water
Fugacity
(atm)
1. 69e-014
1.69e-012
Reaction
(kg/hr)
0 .715
832
Advection
(kg/hr)
0.24
144
Reaction
(percent)
0.0357
41. 6
Advection
(percent)
0 .012
7.21
Page 81 of 82
-------
3537
3538
3539
3540
3541
3542
3543
3544
3545
3546
3547
3548
3549
3550
3551
3552
3553
3554
3555
3556
3557
3558
3559
3560
3561
3562
3563
3564
3565
3566
3567
3568
3569
PUBLIC RELEASE DRAFT
December 2024
Soil 8 .8 6e-014 le + 003 0 50
Sediment 3.97e-013 22.1 0.69 1.11
Persistence Time: 262 hr
Reaction Time: 283 hr
Advection Time: 3.62e+003 hr
Percent Reacted: 92.7
Percent Advected: 7.25
Water Compartment Percents:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.00458 23.3 0
Water 27.5 120 1000
water (26.5)
biota (0 .0712)
suspended sediment (0.875)
Soil 66 240 1000
Sediment 6.57 1.08e+003 0
Half-Lives (hr), (based upon user-entry):
Air: 2 3.3
Water: 120
Soil: 240
Sediment: 1080
Advection Ti
Air :
Water:
Sediment:
es (hr):
100
1000
5e + 0 0 4
0
0 . 0345
Page 82 of 82
------- |