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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from modelling database
Qualifier:
equivalent or similar to guideline
Guideline:
other: predicted data
Principles of method if other than guideline:
To estimate the octanol -water partition coefficient of the test chemical using KOWWIN v 1.68
GLP compliance:
no
Type of method:
other: estimated
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
3.47
Remarks on result:
other: pH not available
Conclusions:
The estimated logPow of Geranyl nitrile was 3.47
Executive summary:

KOWWIN V 1.68 from EPISUITE v 4.11 was used to estimate the octanol water partition coefficient of the test chemical.

The estimated logPow of Geranyl nitrile was 3.47.

Description of key information

KOWWIN V 1.68 from EPISUITE v 4.11 was used to estimate the octanol water partition coefficient of the test chemical.

The estimated logPow of Geranyl nitrile was 3.47.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.47

Additional information

Data from various modelling databases and peer reviewed journals suggests that the octanol- water partition coefficient of Geranyl nitrile lies in the range of 2.989 - 3.5.

The octanol water partition coefficient used for the chemical safety assessment of Geranyl nitrile was 3.47, which lies in the above range.