Registration Dossier
Registration Dossier
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EC number: 908-820-9 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR-Method was performed with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada
- GLP compliance:
- no
- Remarks:
- QSAR-Method
- Type of method:
- other: QSAR-Method
- Partition coefficient type:
- other: QSAR-Method
Test material
- Reference substance name:
- 591-97-9 / 563-52-0
- IUPAC Name:
- 591-97-9 / 563-52-0
- Reference substance name:
- 209-739-5 / 209-252-8
- IUPAC Name:
- 209-739-5 / 209-252-8
Constituent 1
Constituent 2
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 1.99 - 2.17
- Temp.:
- 25 °C
- pH:
- 0 - 14
- Details on results:
- QSAR-Method was performed with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada;
The mixture consists of two components with own log pow values:
cis-/trans-1-chloro-but-2-ene (CAS 591-97-9): log pow = 2.17
3-chloro-but-1-ene (563-52-0): log pow = 1.99;
Both components show no pH dependency.
Applicant's summary and conclusion
- Conclusions:
- QSAR-Method was performed with ACD/LogD Suite Program, Version 10, Advanced Chemistry Development, Toronto, Canada.
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