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Environmental fate & pathways

Adsorption / desorption

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Description of key information

logKoc: > 3 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No studies investigating the adsorption/desorption behaviour offatty acids, C16-18 and C18-unsaturated, esters with pentaerythritol (CAS 85711-45-1)are available. Using KOCWIN Program (v2.00), log Koc values of 3.25 – 19.81 and 3.42 – 18.17 were calculated for its main components, based on molecular connectivity index (MCI) and on log Kow, respectively (Hopp, 2011). These models have no universally accepted definition of model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution. The definite values may not be fully reliable, but confirmed the high adsorption potential determined in the experimental study. The potential for adsorption is also to be expected based on the high Kow (6.1 – 31.4). Additionally, the log Koc value was calculated for the C5 FA main component of the group memberfatty acids, C5-9 tetraesters with pentaerythritol(CAS 67762-53-2) which has the same structure as one of the components of the target substance, except for the shorter fatty acid chains. The C5 FA component fits in the domain of the training set, and the resulting log Koc values 4.52 (based on Koc) and 6.25 (based on MCI), are reliable. The adsorption potential forfatty acids, C16-18 and C18-unsaturated, esters with pentaerythritol (CAS 85711-45-1)is expected to be higher, due to the length of the fatty acid chain.