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Environmental fate & pathways

Distribution modelling

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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:
2010-04-22
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:
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:
Dodecane-12-lactam
EC Number:
213-424-8
EC Name:
Dodecane-12-lactam
Cas Number:
947-04-6
Molecular formula:
C12H23NO
IUPAC Name:
1-azacyclotridecan-2-one
Test material form:
solid
Details on test material:
Dodecane-12-lactam as used in studies on input properties

Study design

Test substance input data:
Molecular weight: 197.32 g/mol
log Kow: 2.71
Vapour pressure: 0.0012 Pa
Water solubility: 0.233 g/l
Melting point: 151.8 °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 (%):
0.033
Water (%):
92.267
Soil (%):
3.815
Sediment (%):
3.858
Susp. sediment (%):
0.025
Biota (%):
0.002
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation, the main target compartment for dodecane-12-lactam will be the hydrosphere (92.3 %), followed by sediment (3.9 %) and soil (3.8 %).
Executive summary:

According to a Mackay Level I model calculation, the main target compartment for dodecane-12-lactam will be the hydrosphere (92.3 %), followed by sediment (3.9 %) and soil (3.8 %).