Registration Dossier
Registration Dossier
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EC number: 907-241-9 | CAS number: -
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- The fugacity model estimates the partitioning of organic substances between the compartments air, soil, water and sediment in the environment. The model a well-accepted calculation tool and is part of EPI Suite (US EPA 2000-2008).
Data source
Referenceopen allclose all
- Reference Type:
- other: QSAR method
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
- Reference Type:
- other: Model calculations
- Title:
- EPI Suite : Fugacity model
- Author:
- US EPA
- Year:
- 2 008
- Bibliographic source:
- US Environmental Protection Agency
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Level III Fugacity model in EPI Suite (Copyright by US EPA 2000-2008), methodology developed by Mackay.
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 1-chlorododecane
- EC Number:
- 203-981-5
- EC Name:
- 1-chlorododecane
- Cas Number:
- 112-52-7
- Molecular formula:
- C12H25Cl
- IUPAC Name:
- 1-chlorododecane
- Test material form:
- not specified
Constituent 1
- Specific details on test material used for the study:
- CAS Number: 112-52-7
SMILES : CLCCCCCCCCCCCC
MOL WT : 204.79
Study design
- Test substance input data:
- Chem Name : Dodecane, 1-chloro-
Molecular Wt: 204.79
Henry's LC : 0.185 atm-m3/mole (Henrywin program)
Vapor Press : 0.0159 mm Hg (Mpbpwin program)
Log Kow : 6.49 (Kowwin program)
Soil Koc : 8.78e+003 (KOCWIN MCI method)
Results and discussion
Percent distribution in media
- Air (%):
- 9.33
- Water (%):
- 38.4
- Soil (%):
- 43.5
- Sediment (%):
- 8.77
Any other information on results incl. tables
Level III Fugacity Model
=======================================
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 9.33 19.1 1000
Water 38.4 360 1000
Soil 43.5 720 1000
Sediment 8.77 3.24e+003 0
Applicant's summary and conclusion
- Conclusions:
- The fugacity model Level III estimates that the substance is distributed to the water and soil compartment.
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