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EC number: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Principles of method if other than guideline:
- Calculation based on KOWWIN programme v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
For further details please see under "Any other information on materials and methods incl. tables". - GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 16.56
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: temperature and pH can be assumed to be 20 °C and 7 respectively.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Principles of method if other than guideline:
- Calculation based on KOWWIN programme v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
For further details please see under "Any other information on materials and methods incl. tables". - GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.74
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: temperature and pH can be assumed to be 20 °C and 7 respectively.
Referenceopen allclose all
QSAR result; pH and temperatureare not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
QSAR result; pH and temperatureare not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
log Pow = 6.74 - >10
Key value for chemical safety assessment
Additional information
The log Pow of the substance fatty acids, C5 -10 (linear and branched), tetraesters with pentaerythritol (CAS 68424 -31 -7) was determined by QSAR calculation with KOWWIN (v1.68) for the two exemplary components covering both ends of the substance specification.
As the result of the second component (C10 tetra: log Pow = 16.56) exceeds the applicability domain of the model, the value is reported as log Pow >10
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