Benzene, mono-C11-13-branched alkyl derivs.

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Reason / purpose for cross-reference:

reference to same study

Qualifier:

no guideline followed

Principles of method if other than guideline:

The log Kow (4.2) has been calculated by the authors of the publication from the log BCF (2.9) estimated in the study with the equation log Kow=(logBCF+0.40) / 0.79

Type:

log Pow

Partition coefficient:

4.2

Temp.:

20 °C

pH:

7

Conclusions:

The log Kow of the substance is 4.2

Description of key information

One study was attempted but it was concluded that the value was too high to be measured. There are values obtained by QSAR using US EPA’s EPIsuite v4.10 QSAR estimates, corrected by QSAR/experimental bias based on LAB data are also reported. The estimated log Kow for the substance is 8.4-8.5 (C12 fraction, main component)

A third value of log Kow was calculated from a log BCF estimated in a study described in a publication from Scarlett et al 2008. In this study, the substance used was C12 -C14 BAB, which is greater in chain-length than the C11 -C13 BAB. This value is lower than the QSAR estimation, and would support the corrections bias based on LAB.

Key value for chemical safety assessment

Log Kow (Log Pow):

8.5

at the temperature of:

20 °C