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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Log Koc = 2.3, Koc = 200 L/kg (QSAR)

Key value for chemical safety assessment

Koc at 20 °C:
200

Additional information

The test substance is a non-polar compound which has an experimentally determined Log Kow of 2.7. It’s MW is 252.06. The relevant regression equation within KOCWIN v2.0 is: Log Koc = 0.8679 Log Kow – 0.0004 (where n = 68, r2 =0.877 r2 adj = 0.875 F = 469.18 s = 0.482). The preferred Log Koc to use is that derived from Log Kow when an experimental Log Kow is available. Both the Log Kow and MW of the test substance lie within the range of values defined by the training set (MW range: 78-545; Log Kow 1.19-6.91). Since the test substance lies within the domain of the QSAR as defined by the parameter values and the mode of action, its prediction is considered valid for use. The predicted Log Koc of the test substance is 2.34. The Koc is 200 L/kg.

 

Hansch C, Leo A, and Hoekman D (1995). Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book, American Chemical Society, Washington, DC.