Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Meets generally accepted scientific standards, well document and acceptable for assessment
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: validated suite of computer programs
Title:
Unnamed
Year:
2008

Materials and methods

Model:
other: Level III Fugacity
Calculation programme:
Level III fugacity model accessed via Epiweb v 4.10
Release year:
2 008

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl dodec-9-enoate
EC Number:
700-618-7
Cas Number:
39202-17-0
Molecular formula:
C13H24O2
IUPAC Name:
Methyl dodec-9-enoate
Details on test material:
- Name of test material (as cited in study report): 9DDAME
- Molecular formula: C13H24O2
- Molecular weight: 212.34
- Smiles notation: COC(=O)CCCCCCCC=CCC

Study design

Test substance input data:
Physical property inputs:
- Log Kow (octanol-water): 5.90
- Boiling Point (deg C): 267.00
- Melting Point (deg C): -20.00
- Vapour Pressure (mm Hg): 0.0074444
- Water solubility (mg/L): 1.05

Results and discussion

Percent distribution in media

Air (%):
0.309
Water (%):
19.4
Soil (%):
79.5
Sediment (%):
0.827
Other distribution results:
See the attached document 39202-17-0_EPIWIN output_20121126.pdf for the Level III fugacity output

Applicant's summary and conclusion