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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached justifications.
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / KOWWIN v1.68 estimate
GLP compliance:
no
Type of method:
other: estimated by calculation
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
[Na+].[Na+].[O-]S(=O)(=O)C(CCCCCCCCC)CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(CCCCCCCCC)S(=O)(=O)[O-]
Analytical method:
other: Estimated by calculation
Key result
Type:
log Pow
Partition coefficient:
8.46
Remarks on result:
other: EPISuite calculation: no data provided on temperature and pH to be included under "Results and discussions".
Conclusions:
The estimated log Pow is 8.46 (EPI-Suite, KOWWIN v1.68 estimate).
Executive summary:

The estimated log Pow is 8.46 (EPI-Suite, KOWWIN v1.68 estimate).

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached justifications.
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / KOWWIN v1.68 estimate
GLP compliance:
no
Type of method:
other: estimated by calculation
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
O=S(=O)(O([Na]))C(CCCCCCCCC)CCCCCCCC(=O)OCCO
Analytical method:
other: Estimated by calculation
Key result
Type:
log Pow
Partition coefficient:
1.82
Remarks on result:
other: EPISuite calculation: no data provided on temperature and pH to be included under "Results and discussions".
Conclusions:
The estimated log Pow is 1.82 (EPI-Suite, KOWWIN v1.68 estimate).
Executive summary:

The estimated log Pow is 1.82 (EPI-Suite, KOWWIN v1.68 estimate).

Description of key information

Weight of evidence:

Representative components are:

Bisulfited sodium salt of ethylene ester of oleic acid;

Bisulfited sodium salt of ethylene diester of oleic acid;

The estimations of log Pow for these components is 8.46 and 1.82 respectively (EPI-Suite, KOWWIN v1.68 estimate).

Key value for chemical safety assessment

Log Kow (Log Pow):
1.82
at the temperature of:
25 °C

Additional information