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Environmental fate & pathways

Adsorption / desorption

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Description of key information

The weighted average log Koc of the test substance was estimated to be 6.98 using the MCI (Molecular Connectivity Index) approach of the KOCWIN v2.00 program (EPISuite v4.1).

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Key value for chemical safety assessment

Koc at 20 °C:
9 549 926

Additional information

The soil adsorption coefficient (Koc) value for the test substance was estimated using the MCI (Molecular Connectivity Index) approach of the KOCWIN v2.00 program (EPISuite v4.1). Since the test substance is a UVCB with several constituents varying mainly in carbon chain lengths, the Koc values were estimated for the individual components using the MCI (Molecular Connectivity Index) approach followed by the determination of an overall weighted-average value using the mole fractions of all the individual components. SMILES codes were used as the input parameter for the log Koc estimations for the individual constituents. The estimated log Koc of the individual constituents ranged from 4.19 to 14.21 and the weighted average log Koc value of the test substance was 6.98 (US EPA, 2017). This indicates a high potential for adsorption to organic matter (White, 2009). The evaluation of the applicability domain indicated that the estimates for all the constituents are reliable and accurate.

[LogKoc: 6.98]