Registration Dossier
Registration Dossier
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EC number: 283-810-9 | CAS number: 84713-17-7
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:
- calculation performed 2005-01-24
- 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:
- 2 005
- Report date:
- 2005
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- self-made (dBase), in agreement with Level I V. 2.11 with standard settings
- Release year:
- 2 005
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 2,2,4(or 2,4,4)-trimethylhexanedinitrile
- EC Number:
- 283-810-9
- EC Name:
- 2,2,4(or 2,4,4)-trimethylhexanedinitrile
- Cas Number:
- 84713-17-7
- Molecular formula:
- C9H14N2
- IUPAC Name:
- 2,2,4-trimethylhexanedinitrile; 2,4,4-trimethylhexanedinitrile
- Details on test material:
- 2,2,4(2,4,4)-Trimethylhexanedinitrile
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 150,23 g/mol
log Kow: 0,97
Vapour pressure: 0,8 Pa
Water solubility: 8 g/l
Melting point: -17,0 °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 (%):
- 0.52
- Water (%):
- 99.33
- Soil (%):
- 0.07
- Sediment (%):
- 0.07
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
Any other information on results incl. tables
Air: 0.5248 %
Water: 99.3262 %
Soil: 0.0738 %
Sediment: 0.0746 %
Susp. Sediment: 0.0005 %
Fish: 0.0000 %
Aerosol: 0.00008 %
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation, the main target compartment for 2,2,4(2,4,4)-trimethylhexanedinitrile will be the hydrosphere (99.3 %), followed by air (0.52 %).
- Executive summary:
According to a Mackay Level I model calculation, the main target compartment for2,2,4(2,4,4)-trimethylhexanedinitrilewill be the hydrosphere (99.3 %), followed by air (0.52 %).
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