Registration Dossier
Registration Dossier
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EC number: 482-100-8 | CAS number: -
Distribution modelling
Some information in this page has been claimed confidential.
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:
- other: Validated model.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite
- Release year:
- 2 011
- Media:
- air - biota - sediment(s) - soil - water
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Details on test material:
- Representative structures were used for the determination
Study design
- Environmental properties:
- Comp 1
Molecular Wt: 458.68
Henry's LC : 0.0039 atm-m3/mole (Henrywin program)
Vapor Press : 1.37e-012 mm Hg (Mpbpwin program)
Liquid VP : 3.6e-011 mm Hg (super-cooled)
Melting Pt : 169 deg C (Mpbpwin program)
Log Kow : 8.76 (Kowwin program)
Soil Koc : 2.96e+003 (KOCWIN MCI method)
Comp 2
Molecular Wt: 486.74
Henry's LC : 0.00687 atm-m3/mole (Henrywin program)
Vapor Press : 1.54e-013 mm Hg (Mpbpwin program)
Liquid VP : 6.11e-012 mm Hg (super-cooled)
Melting Pt : 187 deg C (Mpbpwin program)
Log Kow : 9.74 (Kowwin program)
Soil Koc : 9.83e+003 (KOCWIN MCI method)
Comp 3
Molecular Wt: 500.77
Henry's LC : 0.00912 atm-m3/mole (Henrywin program)
Vapor Press : 5.14e-014 mm Hg (Mpbpwin program)
Liquid VP : 2.5e-012 mm Hg (super-cooled)
Melting Pt : 196 deg C (Mpbpwin program)
Log Kow : 10.2 (Kowwin program)
Soil Koc : 1.79e+004 (KOCWIN MCI method)
Comp 4
Molecular Wt: 514.79
Henry's LC : 0.0121 atm-m3/mole (Henrywin program)
Vapor Press : 1.7e-014 mm Hg (Mpbpwin program)
Liquid VP : 1.02e-012 mm Hg (super-cooled)
Melting Pt : 205 deg C (Mpbpwin program)
Log Kow : 10.7 (Kowwin program)
Soil Koc : 3.26e+004 (KOCWIN MCI method)
Comp 5
Molecular Wt: 570.9
Henry's LC : 0.0376 atm-m3/mole (Henrywin program)
Vapor Press : 1.95e-016 mm Hg (Mpbpwin program)
Liquid VP : 2.65e-014 mm Hg (super-cooled)
Melting Pt : 241 deg C (Mpbpwin program)
Log Kow : 12.7 (Kowwin program)
Soil Koc : 3.6e+005 (KOCWIN MCI method)
Results and discussion
Percent distribution in media
- Air (%):
- 0.979
- Water (%):
- 26
- Soil (%):
- 73.9
- Sediment (%):
- 0.053
- Other distribution results:
- Comp Air Water Soil Sediment
1 0.979 26 72.9 0.0535
2 0.837 25.6 73.5 0.0174
3 0.792 25.4 73.8 0.01
4 0.757 25.3 73.9 0.00583
5 0.404 22.5 77.1 0.000979
Applicant's summary and conclusion
- Conclusions:
- The substance is predicted to partition mainly to soil (ca. 73%)
- Executive summary:
The substance is predicted to partition mainly to soil (ca. 73%)
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