Registration Dossier
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EC number: 607-985-1 | CAS number: 26678-02-4
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 2011-03-07
- 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:
- 2 011
- Report date:
- 2011
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:
- 2 011
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Copolymer of hexanedioic acid and 1,5-pentanediol
- EC Number:
- 607-985-1
- Cas Number:
- 26678-02-4
- Molecular formula:
- Exact identification is not feasible
- IUPAC Name:
- Copolymer of hexanedioic acid and 1,5-pentanediol
- Details on test material:
- Copolymer of hexanedioic acid and 1,5-pentanediol as used in studies and calculations of input data
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 318.41 g/mol
log Kow: 2.79
Vapour pressure: 0.23 Pa
Water solubility: 17.3 g/l
Melting point: < 20 °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 (%):
- 0.135
- Water (%):
- 90.754
- Soil (%):
- 4.514
- Sediment (%):
- 4.564
- Susp. sediment (%):
- 0.029
- Biota (%):
- 0.003
- Aerosol (%):
- 0
Any other information on results incl. tables
The fractions in air and aerosol will be even lower. This is because the value of the vapour pressure used in the calculation is essentially that of 1,5-pentanediol, which certainly is far higher than that of the copolymer, while the other input data reflect the properties of the copolymer more realistically.
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation the main target compartment for the copolymer of hexanedioic acid and 1,5-pentanediol will be the hydrosphere (91 %) followed by soil and sediment (4-5 % each).
- Executive summary:
According to a Mackay Level I model calculation the main target compartment for the copolymer of hexanedioic acid and 1,5-pentanediol will be the hydrosphere (91 %) followed by soil and sediment (4-5 % each).
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