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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:
2010-04-13
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method with acceptable restrictions: Preference of aqueous media will be further increased by neutralization as this increases the water solubility

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010
Report date:
2010

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:
2 010
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Dodecanedioic acid
EC Number:
211-746-3
EC Name:
Dodecanedioic acid
Cas Number:
693-23-2
Molecular formula:
C12H22O4
IUPAC Name:
dodecanedioic acid
Details on test material:
Dodecanedioic acid as used in studies on input data

Study design

Test substance input data:
Molecular weight: 230.31 g/mol
log Kow: 3.2
Vapour pressure: 0.000000015 Pa
Water solubility: 0.03 g/l
Melting point: 129.0°C
Environmental properties:
Volumes, densities, and organic carbon / fat concentrations used:
Air: 6 000 000 000 m3, 1.206 g/l
Water: 7 000 000 m3, 1.0 g/ml
Soil: 45 000 m3, 1.5 g/ml, 2.0 % OC
Sediment: 21 000 m3, 1.3 g/ml, 5.0 % OC
Susp. Sediment: 35 m3, 1.5 g/ml, 16.7 % OC
Fish: 7 m3, 1.0 g/ml, 5.0 % fat
Aerosol: 0.12 m3, 1.5 g/ml
Temperature: 20 °C

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
79.439
Soil (%):
10.187
Sediment (%):
10.299
Susp. sediment (%):
0.066
Biota (%):
0.006
Aerosol (%):
0.002

Applicant's summary and conclusion

Conclusions:
According to Mackay Level I model calculations, the main target compartment for dodecanedioic acid will be water (79.4 %) followed by sediment (10.3 %) and soil (10.2 %). The air compartment is not expected to be relevant.
Executive summary:

According to Mackay Level I model calculations, the main target compartment for dodecanedioic acid will be water (79.4 %) followed by sediment (10.3 %) and soil (10.2 %). The air compartment is not expected to be relevant.