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Adsorption / desorption

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Description of key information

Predicted log Koc is 1.68 L/kg and the Koc is 47.5 L/kg.

Key value for chemical safety assessment

Koc at 20 °C:
47.5

Additional information

The test substance is a non-polar compound which has an estimated log Kow of 1.95 derived using Toxmatcha and is in reasonable agreement with the experimental value of 1.93b. The MW is 150.02. The preferred log Koc is that derived from log Kow when an experimental log Kow is available. Both the log Kow and MW of test substance lie within the range of values defined by the training set (MW range: 78-545; log Kow 1.19-6.91). Since 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 test substance is 1.68 L/kg. The Koc is 47.5 L/kg.

 

aToxmatch (Ideaconsult ltd)

bAbraham, M. H. Fluid Phase Equlibria, 180 (2001) 41-58.

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).