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Environmental fate & pathways

Adsorption / desorption

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Description of key information

log Koc: > 5 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid (List number 805-289-4) are available. Therefore, the log Koc values were calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) and the log Kow method (Mayer, 2016). The models have no universally accepted definition of the model domain, but since the substance is outside the log Kow range of the training set of the MCI and log Kow model, the results should be taken with caution. The definite values may not be fully reliable, but indicate a high adsorption potential, which is also to be expected based on the high log Kow (> 10). Estimations based on the MCI method resulted in log Koc values of 8.34 - 9.18. The model indicates a high potential for adsorption of Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid.