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Diss Factsheets

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

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:
Cyclododeca-1,5,9-triene
EC Number:
225-533-8
EC Name:
Cyclododeca-1,5,9-triene
Cas Number:
4904-61-4
Molecular formula:
C12H18
IUPAC Name:
cyclododeca-1,5,9-triene
Constituent 2
Reference substance name:
1,5,9-Cyclododecatriene
IUPAC Name:
1,5,9-Cyclododecatriene
Details on test material:
1,5,9-Cyclododecatriene as used in studies on input properties

Study design

Test substance input data:
Molecular weight:      162.28 g/mol
log Kow:                 4.50
Vapour pressure:        12.0 Pa
Water solubility:        0.28 mg/l
Melting point:         -17.0 °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 (%):
99.746
Water (%):
0.041
Soil (%):
0.105
Sediment (%):
0.106
Susp. sediment (%):
0.001
Biota (%):
0
Aerosol (%):
0.001

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation the main target compartment for 1,5,9-cyclododecatriene will be the atmosphere (99.7 %), followed by sediment (0.1 %) and soil (0.1 %).
Executive summary:

According to a Mackay Level I model calculation the main target compartment for 1,5,9-cyclododecatriene will be the atmosphere (99.7 %), followed by sediment (0.1 %) and soil (0.1 %).