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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Estimation of the Partition coefficient (n-Octanol/Water) of n-Hexyl chloride, CAS-No.: 544-10-5 by Quantitative Structure Activity Relationship by using (QSAR-Method = Calculation) Program version: KOWWIN (LOGKOW©) Program, Version 1.65, Syracuse Research Corporation, Merrill Lane, Syracuse, New York, 13210, U. S. A., 2000.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR-method
Title:
Unnamed
Year:
2001
Report date:
2001

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR-method
Deviations:
no
Principles of method if other than guideline:
Program version: KOWWIN (LOGKOW©) Program, Version 1.65, Syracuse Research Corporation, Merrill Lane, Syracuse, New York, 13210,
U. S. A., 2000.
GLP compliance:
no
Type of method:
other: QSAR-method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-chlorohexane
EC Number:
208-859-5
EC Name:
1-chlorohexane
Cas Number:
544-10-5
Molecular formula:
C6H13Cl
IUPAC Name:
1-chlorohexane

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.54
Temp.:
25 °C
Remarks on result:
other: QSAR method

Applicant's summary and conclusion

Conclusions:
calculation result of partition coefficient shows a log Pow of 3.54 @ pH7 and 25 °C