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Physical & Chemical properties

Partition coefficient

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Description of key information

From the read across with 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene: log Pow = 7.3 using a model calculation, which is based on theoretical fragmentation.

Key value for chemical safety assessment

Log Kow (Log Pow):
7.3
at the temperature of:
20 °C

Additional information

There is no data on 1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene. A read across approach is proposed with 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene.

The water solubility of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene at 20°C was determined to be below the concentration of the lowest calibration point which is < 0.62 mg/l using the column elution method. The partition coefficient, log Pow, of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene was calculated using the respective solubility in n-octanol and water and was determined to be > 5.5. Therefore, the log Pow of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene was also estimated by a model calculation based on the theoretical fragmentation of the molecule into suitable structures for which reliable log Pow values were used. The final result was obtained by summing the fragment values and the correction terms. In conclusion, the log Pow of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene was estimated to be log Pow = 7.3 using a model calculation, which is based on theoretical fragmentation.

Based upon these results, it can be concluded that 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene is potentially bioaccumulable.