Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: generally accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009

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

Constituent 1
Chemical structure
Reference substance name:
Adipic acid
EC Number:
204-673-3
EC Name:
Adipic acid
Cas Number:
124-04-9
Molecular formula:
C6H10O4
IUPAC Name:
adipic 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)

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

Executive summary:

The distribution of adipic acid in a "unit world" was calculated according to the Mackay fugacity model level I (Currenta, 2009) 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.