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Physical & Chemical properties

Partition coefficient

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Description of key information

Estimated Log Pow= 19 - 20 at 25°C

Key value for chemical safety assessment

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

Additional information

The preliminary calculation and an appraisal of the chemical structure of the test compound leads to the conclusion that it is not sensible either to carry out a preliminary experiment nor to attempt the measurement of log Pow. The extremely low water solubility which is expected from the calculated log Pow exempts the partition coefficient from being measured. Therefore log Pow is estimated by the calculation method.

The calculation was based on fragment method using KOWWIN (v1.68) module of software EPI Suite v.4.11. The molecular weight of the structures is outside of range of training and validation set. Therefore, the estimate may be less accurate.

The QSPR software complies with the OECD principles which stated in “QSPR prediction of physico-chemical properties for REACH” and was published in the SAR and QSAR in Environment Research in 2013 (Dearden, J.C., Rotureau, P., Fayet G. (2013). QSPR prediction of physico-chemical properties for REACH, SAR and QSAR in Environmental Research, Vol. 24, No.4, 279-318).