Registration Dossier
Registration Dossier
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EC number: 271-678-5 | CAS number: 68603-87-2
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
- Release year:
- 1 999
- Media:
- other: air-biota-sediment(s)-soil-water-aerosol
Test material
- Reference substance name:
- Adipic acid
- EC Number:
- 204-673-3
- EC Name:
- Adipic acid
- Cas Number:
- 124-04-9
- Molecular formula:
- C6H10O4
- IUPAC Name:
- hexanedioic acid
- Details on test material:
- - Name of test material: Hexanedioic acid
- Analytical purity: related to pure substance
- Molecular weight: 146.14 g/mol
- Molecular formula : HOOC-CH2-CH2-CH2-CH2-COOH
- Physical state: Solids, crystalline form (Merckindex)
Constituent 1
Study design
- Test substance input data:
- PHYSICO-CHEMICAL PROPERTIES
- Melting point: 151°C (Rhodia Study, 2008)
- Boiling point: 337.5°C at 1013 hPa (Merck Index)
- Vapour pressure: 0.097 hPa at 18.5°C (Kirk-Othmer)
- Water solubility: 23 g/L at 25°C (MITI, 1992)
- log Pow: 0.093 at pH 3.3 (BASF-Study, 1988)
Results and discussion
Percent distribution in media
- Air (%):
- 2.09
- Water (%):
- 97.89
- Soil (%):
- 0.01
- Sediment (%):
- 0.01
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
Any other information on results incl. tables
In the model adipic acid is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.
Applicant's summary and conclusion
- Conclusions:
- The distribution of adipic acid in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for adipic acid is water with 97.89%, followed by air with 2.09 %, and minor amounts for soil and sediment.
- Executive summary:
The distribution of adipic acid in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for adipic acid is water with 97.89%, followed by air with 2.09 %, and minor amounts for soil and sediment.
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