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EC number: 271-091-4 | CAS number: 68515-49-1
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:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The reliability rating is 2 because the data are calculated.
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Evaluating the environmental fate of a variety of types of chemicals using the EQC model
- Author:
- Mackay D, DiGuardo A, Paterson S and Cowan C
- Year:
- 1 996
- Bibliographic source:
- Eviron. Toxicol. Chem. 15: 1627-1637
- Reference Type:
- other: Mathematical model
- Title:
- EQC Model ver. 1.01
- Author:
- Mackay D, DiGuardo A, Paterson S and Cowan C
- Year:
- 1 997
- Bibliographic source:
- Available from the Environmental Centre, Trent University, Canada.
- Reference Type:
- publication
- Title:
- Multimedia environmental models: The fugacity approach
- Author:
- Mackay D
- Year:
- 2 001
- Bibliographic source:
- Second edition, pp. 1-261, Lewis Publisher, Boca Raton, Fl, USA
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level I simulation using the Mackay Multimedia Environmental Model, version 3.0, released 2004, available at the Canadian Environmental Modelling Centre, Trent University, Canada.
- Release year:
- 1 997
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich
- EC Number:
- 271-091-4
- EC Name:
- 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich
- Cas Number:
- 68515-49-1
- Molecular formula:
- C28 H46 O4
- IUPAC Name:
- 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10 rich
- Reference substance name:
- 1,2-benzenedicarboxylic acid, di-C9,C10 and C11 branched alkyl ester, C10 Rich
- IUPAC Name:
- 1,2-benzenedicarboxylic acid, di-C9,C10 and C11 branched alkyl ester, C10 Rich
Constituent 1
Constituent 2
Study design
- Test substance input data:
- Parameter Value w/ Units
Molecular Weight 446.68
Temperature 25° C
Log Kow 8.8
Water Solubility 0.00017 g/m3
Vapor Pressure 0.000051 Pa
Melting Point -50°C
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 0
- Soil (%):
- 97.7
- Sediment (%):
- 2.2
- Susp. sediment (%):
- 0.1
- Biota (%):
- 0
Applicant's summary and conclusion
- Conclusions:
- The Mackay Level I equilibrium model estimates that di-isodecyl phthalate ester will partition largely to the soil compartment (approximately 98%), followed by the sediment (approximately 2%) compartment.
- Executive summary:
The Mackay Level I equilibrium model estimates that di-isodecyl phthalate ester will partition largely to the soil compartment (approximately 98%), followed by the sediment (approximately 2%) compartment.
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