Registration Dossier
Registration Dossier
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EC number: 943-540-0 | CAS number: -
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 11 May 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPISUITE
- Release year:
- 2 012
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Amines, C10-14-tert-alkyl
- EC Number:
- 701-175-2
- Cas Number:
- 68955-53-3
- Molecular formula:
- C12H27N to C14H31N
- IUPAC Name:
- Amines, C10-14-tert-alkyl
- Details on test material:
- - Name of test material (as cited in study report): Amines, C12-14-tert-alkyl
-Smiles notation (if other than submission substance): CC(C)(C)CCCCCCCCCN
Constituent 1
Study design
- Environmental properties:
- Molecular Wt: 199.38
Henry's LC : 0.000466 atm-m3/mole (HENRYWIN v3.20)
Log Kow: 5.14 (KOWWIN v1.68 )
Log Koc: 3.80 (KOCWIN v2.00)
Results and discussion
Percent distribution in media
- Air (%):
- 0.404
- Water (%):
- 10.1
- Soil (%):
- 85.8
- Sediment (%):
- 3.72
Applicant's summary and conclusion
- Conclusions:
- The environmentally relevant constituent of the test item is predicted to partition mainly to soil (approximately 85.8 %).
- Executive summary:
Distribution of the environmentally relevant constituent of the test material was calculated using a Level III Fugacity Model. The substance is predicted to partition mainly to soil (approximately 85.8 %).
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