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Physical & Chemical properties

Partition coefficient

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Description of key information

Partition Coefficient = 7.56 [KOWWIN v1.67; calculated data]

Key value for chemical safety assessment

Log Kow (Log Pow):
7.56

Additional information

The test cannot be performed as the substance is insoluble and instable in water [0.005 mg/L at 25°C, est. with WSKOW v1.41 (Epi Suite v4.1)]. Therefore, the partition coefficient of the substance 2,4,6 -triisopropyl-m-phenylene diisocyanate was determined by the computer program KOWWIN v1.67 (EPIWIN software) by US-EPA (2011). The program uses the chemical structure of a compound to predict the logarithmic octanol water partition coefficient (logPow). The structure is denoted in its SMILES notation. As first step the software determines the logPow contributions from individual molecular fragments. Afterwards these fragments are summed up to gain the logPow for the whole molecule. In this case a logPow of 7.56 was determined as result.