Registration Dossier
Registration Dossier
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EC number: 701-392-2 | CAS number: -
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:
- other: Validated model.
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
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 substance name:
- 2-tetradecyloxirane, reaction products with boric acid
- EC Number:
- 701-392-2
- IUPAC Name:
- 2-tetradecyloxirane, reaction products with boric acid
- Details on test material:
- Representative structures were used for the determination
Constituent 1
Study design
- Environmental properties:
- Comp 1
Molecular Wt: 852.75
Henry's LC : 4.11e-017 atm-m3/mole (calc VP/Wsol)
Vapor Press : 4.41e-027 mm Hg (Mpbpwin program)
Liquid VP : 7.2e-024 mm Hg (super-cooled)
Melting Pt : 350 deg C (Mpbpwin program)
Log Kow : 12.2 (Kowwin program)
Soil Koc : 1e+010 (KOCWIN MCI method)
Comp 2
Molecular Wt: 790.92
Henry's LC : 0.000211 atm-m3/mole (calc VP/Wsol)
Vapor Press : 3.49e-017 mm Hg (Mpbpwin program)
Liquid VP : 3.22e-014 mm Hg (super-cooled)
Melting Pt : 325 deg C (Mpbpwin program)
Log Kow : 16 (Kowwin program)
Soil Koc : 1e+010 (KOCWIN MCI method)
Comp 3
Molecular Wt: 524.68
Henry's LC : 1.33e-008 atm-m3/mole (calc VP/Wsol)
Vapor Press : 2.65e-014 mm Hg (Mpbpwin program)
Liquid VP : 2.71e-012 mm Hg (super-cooled)
Melting Pt : 228 deg C (Mpbpwin program)
Log Kow : 10.6 (Kowwin program)
Soil Koc : 6.6e+008 (KOCWIN MCI method)
Comp 4
Molecular Wt: 284.25
Henry's LC : 1.68e-007 atm-m3/mole (calc VP/Wsol)
Vapor Press : 1.84e-007 mm Hg (Mpbpwin program)
Liquid VP : 1.24e-006 mm Hg (super-cooled)
Melting Pt : 109 deg C (Mpbpwin program)
Log Kow : 5.35 (Kowwin program)
Soil Koc : 5.27e+005 (KOCWIN MCI method)
Results and discussion
Percent distribution in media
- Air (%):
- 0.051
- Water (%):
- 7.24
- Soil (%):
- 48.5
- Sediment (%):
- 44.2
- Other distribution results:
- Comp Air Water Soil Sediment
1 0.0507 7.24 48.5 44.2
2 0.0868 16.9 83 0.0184
3 0.1462 8.08 40.6 51.2
4 0.251 6.44 37.6 55.7
Applicant's summary and conclusion
- Conclusions:
- The substance is predicted to partition mainly to soil (37.6 - 83.0%) and sediment (44.2 - 55.7%)
- Executive summary:
The substance is predicted to partition mainly to soil (37.6 - 83.0%) and sediment (44.2 - 55.7%)
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