Registration Dossier
Registration Dossier
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EC number: 206-534-2 | CAS number: 353-50-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- KowWin is an accepted calculation method, however the applicability to inorganic carbonyl halides is questionable
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- KOWWIN
- Author:
- EPA's Office of Pollution Prevention Toxics and Syracuse Research Coporation
- Year:
- 2 012
- Bibliographic source:
- U.S. Environmental Protection Agency
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6
- Version / remarks:
- May/July 2008
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Remarks:
- A QSAR is a mathematical model relating one or more quantitative parameters derived from chemical structure to a quantitative measure of a property or activity.
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Carbonyl difluoride
- EC Number:
- 206-534-2
- EC Name:
- Carbonyl difluoride
- Cas Number:
- 353-50-4
- Molecular formula:
- CF2O
- IUPAC Name:
- carbonyl difluoride
- Test material form:
- gas
Constituent 1
Study design
- Analytical method:
- not specified
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -1.34
- Temp.:
- 25 °C
- Details on results:
- The molecular weight of the test item is included in the molecular weight range of the training set compounds (18.02 g/mol to 719.92 g/mol). Furthermore, the fragments obtained from the chemical structure of the test item are presented in the training and the validation set.
Any other information on results incl. tables
The KOWWIN program indicate that "Acetyl halides hydrolyze". Therefore, the value of log Kow obtained should be taken with a particular care. Indeed, the test item is known to instantly to be hydrolysed in contact with water or moisture.
Applicant's summary and conclusion
- Conclusions:
- The log Kow of the test item calculated with KOWWIN program is -1.34 at 25°C
- Executive summary:
The log Kow of the test item calculated with KOWWIN program is -1.34 at 25°C
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