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Environmental fate & pathways

Adsorption / desorption

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Description of key information

The log Koc value was predicted with the program KOCWIN and with three QSPR methods. The log Koc = 3.571 indicates that the substance is slightly mobile in soil and sediment according to the classification scheme of McCall et al. (1981).

 

Key value for chemical safety assessment

Koc at 20 °C:
3 723.92

Additional information

Discussion of results

As no single computational model could be identified which would fit completely to this task, the Koc of neononyl acetate eventually was being calculated from the geometric mean of the data generated by four individual QSPR approaches.The four different ways of QSPR computations mostly were based on the experimentally derived log Kow of the test item of 4.6.

Method

Koc (L/kg)

log Koc

Gerstl method

3.786

Sabljic and Güsten (esters)

3.3

PCKOCWIN Kow method

3.4

Sabljic method (hydrophobic substances)

3.826

Geometric mean

3724

3.571

 

The resulting geometric mean of log Koc = 3.571 (Koc = 3724 L/kg) is considered as valid as it is being supported by several different QSPR approaches.It is proposed to use the predicted value for the adsorption coefficient of log Koc = 3.571 in the chemical safety assessment.

The substance is considered as "slightly mobile" in sediments and soil (McCall 1981).

Waiving of further adsorption/desorption studies

As additional adsorption/desorption testing cannot expected to reveal new results with any added value concerning the risk assessment of this substance, additional Annex IX studies on adsorption/desorption shall be waived (for more details see "waiver_further studies on adsorption/desorption").

[LogKoc: 3.571]