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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
secondary literature
Qualifier:
no guideline followed
Principles of method if other than guideline:
No information available on test method.
GLP compliance:
no
Type of method:
other: QSAR
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
CAS number was used as input value for the QSAR.
Key result
Type:
log Pow
Partition coefficient:
-1.72
Remarks on result:
other: Hansch, C et al. (1995)
Conclusions:
Log Kow: -1.72
The partition coefficient was retrieved as an experimentally determined value from the EpiSuite's WSKOW model database.
Executive summary:

Episuite is a well known QSAR software package that is widely used and accepted by both industry and regulatory authorities.

An experimentally determined log Kow value for L-isoleucine is available in the software package. The original publication by Hansch et al (1995) could not be obtained.

Nevertheless, the experimental value is preferred over the modeled value.

Description of key information

Log Kow: -1.72   (obtained via QSAR database)

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.72
at the temperature of:
25 °C

Additional information

Episuite is a well known QSAR software package that is widely used and accepted by both industry and regulatory authorities.

An experimentally determined log Kow value for L-isoleucine is available in the software package. The original publication by Hansch et al (1995) could not be obtained. Nevertheless, the experimental value is preferred over the modeled value.