Registration Dossier

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:
2009
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
Name:
Unnamed
Type:
Constituent
Type:
Constituent

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.