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Environmental fate & pathways

Adsorption / desorption

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Description of key information

The Koc was calculated to be 21.01 L/kg (MCI method) and 10.71 L/kg (traditional method based on logPow), respectively. [with KOCWIN v2.00 (EPIWIN software by US-EPA)]

Key value for chemical safety assessment

Koc at 20 °C:
21.02

Additional information

The prediction for soil adsorption property of triethyl citrate was determined by the KOCWIN program (v 2.00) made available by U.S. Environmental Protection Agency. This program requires just the input of the chemical structure of the desired compound by SMILES notation. It estimates the organic-normalized sorption coefficient for soil, which is designated as Koc. The following two models are used: the Sabljic 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, resulting in a Koc value of 21.02 L/kg for the chemical compound. The traditional method (based on an experimental logPow of 1.17, Villa, 2011) gives a value of 10.71 L/kg.

Accordingly the substance has a low sorption onto soil organic matter.

[LogKoc: 1.32]