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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
From 1995-12-20 to 1996-02-23
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
A value of logKow for test item was calculated by the Leo and Hansch procedure (LYMAN, W.J., REEHL, W.F. and ROSENBLATT, D.H. (1982). Handbook of Chemical Property Estimation Methods. McGraw-Hill).
GLP compliance:
yes
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch No.: + 19951208
Analytical method:
not specified
Type:
log Pow
Partition coefficient:
> 6
Remarks on result:
other: estimated based on chemical structure
Details on results:
No experimental determination was possible due to lack of a suitable analytical method. It is expected though, from estimations based on chemical structure, that the log10 Kow values of the main components of test item fall outside the scope of the methods normally used (flask shake and HPLC methods are applicable over the ranges of log10 Kow values -2 to 4 and 0 to 6 respectively).

Details of the calculation are given in the attached background information section.

Conclusions:
The log10 Kow based on estimations from the chemical structure has been determined as > 6.
Executive summary:

A value of logKow for test item was calculated by the Leo and Hansch procedure. The log10 Kow based on estimations from the chemical structure has been determined as > 6. No experimental determination was possible due to lack of a suitable analytical method.  It is expected though, from estimations based on chemical structure, that the log10 Kow values of the main components of test item fall outside the scope of the methods normally used (flask shake and HPLC methods are applicable over the ranges of log10 Kow  values -2 to 4 and 0 to 6 respectively).

Description of key information

A value of logKow for test item was calculated by the Leo and Hansch procedure.The log10 Kow based on estimations from the chemical structure has been determined as > 6.

Key value for chemical safety assessment

Log Kow (Log Pow):
6
at the temperature of:
20 °C

Additional information

No experimental determination was possible due to lack of a suitable analytical method. It is expected though, from estimations based on chemical structure, that the log10 Kow values of the main components of test item fall outside the scope of the methods normally used (flask shake and HPLC methods are applicable over the ranges of log10 Kow values -2 to 4 and 0 to 6 respectively).

The log10 Kow based on estimations from the chemical structure has been determined as > 6.