Registration Dossier
Registration Dossier
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EC number: 249-535-3 | CAS number: 29253-36-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
Reference
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
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