Registration Dossier
Registration Dossier
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EC number: 607-997-7 | CAS number: 26776-30-7
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- calculated 2012-12-03
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- self-made, equivalent to Level I V. 2.11 with standard settings
- Release year:
- 2 009
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Copolymer of hexahydro-2H-azepin-2-one and 1,6-diisocyanatohexane
- EC Number:
- 607-997-7
- Cas Number:
- 26776-30-7
- Molecular formula:
- Exact identification is not feasible
- IUPAC Name:
- Copolymer of hexahydro-2H-azepin-2-one and 1,6-diisocyanatohexane
- Test material form:
- other: Colourless, resinous solid
- Details on test material:
- 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane of Evonik Industries AG, batch WL-8167 of July 13 (2011)
Purity > 99 % copolymer
Mn = 1000 g/mol, Mw = 1500 g/mol (GPC)
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 1000 g/mol
log Kow: 4.40
Vapour pressure: 0.00000038 Pa
Water solubility: 0.00037 g/l
Melting point: 91.5 °C - Environmental properties:
- Air: 6 000 000 000 m³, 1.206 kg/m³
Water: 7 000 000 m³, 1000 kg/m³
Soil: 45 000 m³, 1500 kg/m³, 2 % OC
Sediment: 21 000 m³, 1300 kg/m³, 5 % OC
Susp. sediment: 35 m³, 1500 kg/m³, 16.7 % OC
Fish: 7 m³, 1000 kg/m³, 5 % fat
Aerosol: 0.12 m³, 1500 kg/m³
Temperature: 20 °C
Results and discussion
Percent distribution in media
- Air (%):
- 0.007
- Water (%):
- 19.382
- Soil (%):
- 39.732
- Sediment (%):
- 40.173
- Susp. sediment (%):
- 0.258
- Biota (%):
- 0.025
- Aerosol (%):
- 0.422
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation, the main target compartments for 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane will be sediment (40.2 %) and soil (39.7 %).
- Executive summary:
According to a Mackay Level I model calculation, the main target compartments for 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane will be sediment (40.2 %) and soil (39.7 %).
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