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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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
See EpiSuite report (attached).
The substance is surface active and UVCB making testing unreliable. The reported water solubility is consistent with the partition coefficient derived from modelling.
Qualifier:
no guideline required
Principles of method if other than guideline:
EPI (Estimation Programs Interface) Suite estimates a range of physicochemical properties, environmental fate parameters and ecotoxicity. It has been developed by the US EPA in collaboration with Syracuse Research Corporation (SRC) and is used widely by governmental and industry organisations to support the assessment of new and existing industrial chemicals.
GLP compliance:
no
Partition coefficient type:
other: QSAR prediction
Type:
log Pow
Partition coefficient:
2.39
Temp.:
25 °C
Remarks on result:
other: QSAR prediction
Conclusions:
EpiSuite (KOWWIN v1.68) estimates Log Kow to be 2.39 at 25 °C.
Simple observations confirm that the substance is very soluble in in octanol, and when considering water solublity of ca 260 mg/l, this estimated Log Kow is clearly in the right order of magnitude.
Executive summary:

EpiSuite (KOWWIN v1.68) estimates Log Kow to be 2.39 at 25 °C.

If testing had been possible, it is likely that the UVCB substance would have a range of partition coefficients.

A figure of Log 2.4 is used for the CSR

Description of key information

EpiSuite (KOWWIN v1.68) estimates Log Kow to be 2.39 at 25 °C, although if testing had been possible, it is likely that the UVCB substance would have a range of partition coefficients.

A figure of Log 2.4 is used for the CSR

Simple observations confirm that the substance is very soluble in in octanol, and when considering water solublity of ca 260 mg/l, this estimated Log Kow is clearly in the right order of magnitude.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.4
at the temperature of:
25 °C

Additional information