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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR calculation
Qualifier:
no guideline followed
Principles of method if other than guideline:
Q)SAR calculation with calculation program US EPA EPI Suite v4.11, program component KOWWIN (v1.68); molecular structure is divided into fragments and log Kow is estimated by summing together coefficients for each fragment (AFC method; US EPA 2012. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11; United States Environmental Protection Agency, Washington, DC, US).
Type of method:
other: calculation
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.625
Remarks on result:
other: value calculated

Description of key information

For isopropylnaphthalene, a log Kow of 4.625 was calculated, using the calculation program KOWWIN v1.68 included in US EPA EPI Suite 4.11.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.63
at the temperature of:
20 °C

Additional information