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Environmental fate & pathways

Adsorption / desorption

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Description of key information

The adsorption/desorption coefficient was estimated by three QSPR methods based on the experimental value of n-octanol/water partition coefficient (2.76). The log Koc values obtained were : 1.97, 2.32 and 2.34. 

Key value for chemical safety assessment

Koc at 20 °C:
218.77

Additional information

The adsorption/desorption coefficient of this test substance was estimated by QSPR methods as a first step. These QSPR methods based on the experimental log value of n-octanol/water partition coefficient (2.76) provided close log Koc values (1.97, 2.32 and 2.34).

In accordance with Chapter R.7a ECHA guidance, the substance being produced in quantities lower than 100 t per year and no risk being identified for sediment/soil compartments (log Koc and log Kow < 3) in this first step, no experimental test was conducted.

The highest log Koc value (2.34) was used for chemical safety assessment (CSA) and for the derivation of Predicted No-Effect Concentrations (PNEC) in sediments and soil.

This value was considered as a worst-case value, increase of adsorption/desorption coefficient value leading to a significant increase of the PEC soil value.

[LogKoc: 2.34]