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Adsorption / desorption

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Description of key information

Key_Adsorption / desorption_QSAR: Calculation with KOCWIN v4.10 (EPIWIN software by US-EPA), organic-normalized sorption coefficient (Koc): 539300 L/kg (MCI method estimation)

Key value for chemical safety assessment

Koc at 20 °C:
539 300

Additional information

The prediction for soil adsorption property of the substance 2,4,6 -triisopropyl-m-phenylene diisocyanate was determined by the computer program KOCWIN v2.00 (EPIWIN software) by US-EPA (Chemservice S.A., 2011). The program estimates the organic-normalized sorption coefficient for soil, which is designated as Koc. The following two models are used: the Salbjic molecular connectivity (MCI) method as well as the traditional method which is based on the logPow value of the substance. The MCI method is taken more seriously into account, due to the fact that is includes improved correction factors. For this chemical compound a Koc value of 539300 L/kg (5.393 E+005 L/kg) was thereby estimated. The traditional method gives a value of 3639000 L/kg (3.639 E+006 L/kg). No GLP criteria are applicable for the usage of this tool, but due to the fact that it is a scientifically accepted calculation method the estimations performed are reliable with restrictions and can be used for the chemical safety assessment.