Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

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