Registration Dossier
Registration Dossier
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EC number: 203-537-0 | CAS number: 107-96-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
Data source
Reference
- Reference Type:
- other: IUCLID 4 data set entry
- Title:
- No information
- Author:
- USEPA
- Year:
- 2 007
- Bibliographic source:
- Estimations Programs Interface (EPI) Suite®, version 3.20.
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- MIGRATED DATA SET.
Test material
- Reference substance name:
- 3-mercaptopropionic acid
- EC Number:
- 203-537-0
- EC Name:
- 3-mercaptopropionic acid
- Cas Number:
- 107-96-0
- Molecular formula:
- C3H6O2S
- IUPAC Name:
- 3-sulfanylpropanoic acid
Constituent 1
Results and discussion
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0918 5.99 1000
Water 34.1 208 1000
Soil 65.7 416 1000
Sediment 0.0605 1.87e+003 0
Fugacity Reaction Advection Reaction
Advection
(atm) (kg/hr) (kg/hr) (percent)
(percent)
Air 2.36e-012 119 10.3 3.95
0.342
Water 5.15e-014 1.27e+003 381 42.3
12.7
Soil 3.38e-012 1.22e+003 0 40.7
0
Sediment 4.44e-014 0.25 0.0135 0.00833
0.00045
Persistence Time: 372 hr
Reaction Time: 428 hr
Advection Time: 2.85e+003 hr
Percent Reacted: 87
Percent Advected: 13
Half-Lives (hr), (based upon Biowin (Ultimate) and
Aopwin):
Air: 5.993
Water: 208.1
Soil: 416.2
Sediment: 1873
Biowin estimate: 3.329 (days-weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
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