Registration Dossier
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EC number: - | CAS number: 2156592-70-8
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- US EPA. [2011]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA. From
Level III Fugacity Model.
Calculations done with structures having different branching (number of terminal CH3), possible constituents of the substance.
See report.
Data source
Referenceopen allclose all
- Reference Type:
- other: EPIWIN calculation
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2015
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPIsuite v4.00
- Release year:
- 2 011
- Media:
- other: Air - Water - Soil - Sediment
Test material
- Reference substance name:
- one C12-substituted BAB component
- IUPAC Name:
- one C12-substituted BAB component
Constituent 1
Study design
- Test substance input data:
- Input data: QSAR estimation by Level III Fugacity Model
- direct emissions to air and water at 1000 kg/h each are considered
- experimental Koc value entered
Results and discussion
Percent distribution in media
- Air (%):
- 2
- Water (%):
- 42
- Soil (%):
- 0.04
- Sediment (%):
- 56
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name :
Molecular Wt: 246.44
Henry's LC : 0.477 atm-m3/mole (Henrywin program)
Vapor Press : 0.00327 mm Hg (Mpbpwin program)
Log Kow : 7.65 (Kowwin program)
Soil Koc : 7.59e+004 (user-entered) NB: experimental value for BAB
| mass amount (%) | half-life (hr) | emissions (kg/hr) | |
| air | 2.18 | 12.6 | 1000 |
| water | 41.6 | 900 | 1000 |
| soil | 0.0381 | 1.8e+003 | 0 |
| sediment | 56.2 | 8.1e+003 | 0 |
Persistence Time: 452 hr
Reaction Time: 639 hr
Advection Time: 1.55e+003 hr
Percent Reacted: 70.8
Percent Advected: 29.2
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 12.62
Water: 900
Soil: 1800
Sediment: 8100
Biowin estimate: 2.602 (weeks-months)
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- The sediment is confirmed as the critical compartment in terms of exposure.
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