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Fate Report for Case # P-18-0320Fate Summary Statement
Fate Summary
Statement:
P-18-0320FATE: Estimations for hydrolysis product MW = log Kow = 0.27 (E)log Koc = 3.01 (E)log Fish BCF = 0.50 (3) (E)log Fish BAF = 0.03 (1) (E)PMN Substance: with MP < °C (E)S = ReactsHydrolysis Half-life = min-hrVP = 3.4E-4 torr at 25 °C (E)BP = 330 °C (E)POTW removal (%) = PMN 90-99 via hydrolysis; then Hyd Pdt 0-90 via possible biodegTime for complete ultimate aerobic biodeg = Hyd Pdt moSorption to soils/sediments = Hyd Pdt low - moderatePBT Potential: PMN P1B1; Hyd Pdt P2B1FATE: Migration to ground water = Hyd Pdt moderate - rapidBioconcentration factor to be put into E-FAST: PMN NA; Hyd Pdt 1
There is uncertainty with whether or not the release processes result in the polymerization product or the .
Environmental Fate Determination
PMN #: P-18-0320Summary: EPA estimated that the new chemical substance could have limited persistence and low potential for bioaccumulation, such that repeated exposures are not expected to cause food-chain effects via accumulation in exposed organisms. Although EPA estimated that the hydrolysis product could be persistent, the substance has low potential for bioaccumulation, such that repeated exposures are not expected to cause food-chain effects via accumulation in exposed organisms.
Fate: Environmental fate is the determination
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of which environmental compartment(s) a chemical moves to, the expected residence time in the environmental compartment(s) and removal and degradation processes. Environmental fate is an important factor in determining exposure and thus in determining whether a chemical may present an unreasonable risk. EPA estimated physical/chemical and fate properties of the new chemical substance using data for analogues (compounds with isocyanate groups) and of the hydrolysis product using data for analogue(s) (alkylamines and ) and EPI (Estimation Program Interface) Suite™ (http://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface). In wastewater treatment, the new chemical substance is expected to be removed with an efficiency of 90% to 99% due to rapid hydrolysis and the hydrolysis product is expected to be removed with an efficiency of 0% to 90% due to possible biodegradation. Removal of the hydrolysis product by biodegradation is negligible to high and destruction (mineralization) of the hydrolysis product by biodegradation is partial to complete. Sorption of the hydrolysis product to sludge is expected to be low and to soil and sediment is expected to be low to moderate. Migration of the new chemical substance to groundwater is expected to be negligible due to rapid hydrolysis and migration of the hydrolysis product to groundwater is expected to be moderate to rapid due to low to moderate sorption to soil and sediment. Due to low estimated vapor pressure and Henry's law constant, the new chemical substance and the hydrolysis product are expected to undergo negligible volatilization to air. Overall, these estimates indicate that the new chemical substance has low potential to volatilize to air or migrate to groundwater; and that the hydrolysis product has low potential to volatilize to air and has moderate to high potential to migrate to groundwater.
Persistence : Persistence is relevant to whether a new chemical substance is likely to present an unreasonable risk because chemicals that are not degraded in the environment at rates that prevent substantial buildup in the environment, and thus increase potential for exposure, may present a risk if the substance presents a hazard to human health or the environment. EPA estimated degradation half-lives of the new chemical substance using data for analogues (compounds with isocyanate groups) and of the hydrolysis product using data for analogue(s) (alkylamines and ) and EPI Suite™. EPA estimated that the new chemical substance's hydrolysis half-life is minutes to hours; and that the hydrolysis product's aerobic and anaerobic biodegradation half-lives are 2 to 6 months. These estimates indicate that the new chemical substance may have limited persistence in aerobic environments (e.g., surface water) and anaerobic environments (e.g., sediments) due to hydrolysis. Further, these estimates indicate that the hydrolysis product may be persistent in aerobic environments (e.g., surface water) and anaerobic environments (e.g., sediment).
Bioaccumulation : Bioaccumulation is relevant to whether a new chemical substance is likely to present an unreasonable risk because
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substances that bioaccumulate in aquatic and/or terrestrial species pose the potential for elevated exposures to humans and other organisms via food chains. EPA estimated the potential for the new chemical substance to bioaccumulate using data for analogues (compounds with isocyanate groups) and of the hydrolysis product to bioaccumulate using EPI Suite™. EPA estimated that the new chemical substance has low bioaccumulation potential based on rapid hydrolysis and the hydrolysis product has low bioaccumulation potential based on BCFBAF model result < 1000 (hydrolysis product bioconcentration factor = 3 [estimated by linear regression from log Kow] and bioaccumulation factor = 1 [estimated by the Arnot-Gobas method (2003)]). EPA estimated that the new chemical substance could have limited persistence and low potential for bioaccumulation, such that repeated exposures are not expected to cause food-chain effects via accumulation in exposed organisms. Although EPA estimated that the hydrolysis product could be persistent, the substance has low potential for bioaccumulation, such that repeated exposures are not expected to cause food-chain effects via accumulation in exposed organisms.
Fate Assessor:
Lynch, David
SMILES:
Physical Properties
Property Measured/Calculated Value
EPI
Molecular Form:
Molecular Wt.: g/mol
% < 500:%
< 1000:
Property Measured Value
Method Estimated Value
Method EPI
Melting Point:
NaN °C (Exp.)
°C (Est., Joback)
°C (Est., Gold)
°C (Est., Selected)
Boiling Point:
NaN °C (Exp.)
°C (Est.)
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Property Measured Value
Method Estimated Value
Method EPI
°K (Est.)
BP Pressure:Vapor
Pressure:NaN
mmHg (Exp.)
Water Solubility:
NaN (Exp.)
(Est.)Log
P:Log
Kow:NaN
(Exp.) (Est.)
Log Koc:
NaN 11.99935497124933 (Est., log(MCI))
9.090263153960406 (Est., log(Kow))
162649.84375 L/kg (Est., MCI)
8868.51953125 L/kg (Est., Kow)
Log BCF:
3.16 L/kg wet-wt
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Property Measured Value
Method Estimated Value
Method EPI
Henry's Law: NaN atm-m3/mole (Exp.)
atm-m3/mole (Est., Bond)
0.0 atm-m3/mole (Est., Group)
pH:pH
Comment:
Fate AnalysisHydrolysis
(t1/2, da):
Volatilization (t1/2)
- River (hr):
Volatilization (t1/2)
- Lake (da):Atm Ox
Potential (t1/2)OH
(hr):
0.49468565105823614 Atm Ox Potential (t1/2)O3
(hr):
0.0 Atm Ox Potential
(t1/2) Total (hr):
MITI Linear:
0.30000001192092896 MITI NonLinear:
0.20000000298023224
Biodeg Linear:
0.6000000238418579 Biodeg NonLinear:
0.4000000059604645
Biodeg Survey
ult:
2.5999999046325684 Biodeg Survey Prim:
3.5
STP (% removal)
Total:
58.61197118722161% STP (% removal)
Biodeg:
0.540689051128472%
STP (% removal)
Ads:
58.04049727529822% STP (% removal)
Air:
0.03079362558458245%
RationalesRemoval in Wastewater Treatment:
Atmospheric Oxidation:
Hydrolysis:Photolysis:
Aerobic Biodegradation:
Anaerobic Biodegradation:
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Sorption to Soil and Sediment:
Migration to Groundwater:
Persistence - Air:Persistence
- Water:Volatilization from
Water:Soil:
Sediment:Other:
Standard:Bioaccumulation:
PBT RatingsPersistence Bioaccumulation Toxicity PBT
Comments
1 1 PMN2 1 Hyd
Pdt
Exposure-Based Testing
Exposure-Based Testing:
Fate RatingsRemoval in WWT/POTW (Overall):
Removal in WWT/POTW
(Overall):
90-99;0-90 PMN;Hyd Pdt
Condition Rating Values Rating Description Comment
1 2 3 4
WWT/POTW Sorption:
;1 Low Moderate Strong V. Strong PMN;Hyd Pdt
WWT/POTW Stripping:
;4 Extensive Moderate Low Negligible PMN;Hyd Pdt
Biodegradation Removal:
;2-4 Unknown High Moderate Negligible PMN;Hyd Pdt
Biodegradation Destruction:
;2-3 Unknown Complete Partial — PMN;Hyd Pdt
;3 <= Days Weeks Months PMN;Hyd Pdt
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Condition Rating Values Rating Description Comment
1 2 3 4Aerobic Biodeg
Ult:>
MonthsAerobic
Biodeg Prim:<=
DaysWeeks Months >
MonthsAnaerobic Biodeg
Ult:;3 <= Days Weeks Months >
MonthsPMN;Hyd Pdt
Anaerobic Biodeg Prim:
<= Days
Weeks Months > Months
Hydrolysis (t1/2 at pH
7,25C) A:
1-2 <= Minutes
Hours Days >= Months
N=C=O
Hydrolysis (t1/2 at pH 7,25C) B:
<= Minutes Hours Days >= Months
Sorption to Soils/Sediments:
;3-4 V. Strong Strong Moderate Low PMN;Hyd Pdt
Migration to Ground Water:
;3-4 Negligible Slow Moderate Rapid PMN;Hyd Pdt
Photolysis A, Direct:
Negligible Slow Moderate Rapid
Photolysis B, Indirect:
Negligible Slow Moderate Rapid
Atmospheric Ox A, OH:
Negligible Slow Moderate Rapid
Atmospheric Ox B, O3:
Negligible Slow Moderate Rapid
Bio Comments:
Bio Comments:
Hyd Pdt Fish log BAF = 0.03 (1).
.
The fugacity spreadsheet and the EPI output file for the hydrolysis product with manually entered properties are attached.
Fate Comments:
Fate Comments:
Comments/Telephone LogArtifact Update/Upload
Time
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Artifact Update/Upload Time
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