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Environmental fate & pathways

Adsorption / desorption

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Description of key information

In the key study of König 2010 four different computational methods (QSPR) for deriving the Koc for BMDBM were applied. The methods mostly were based on using the experimentally measured log Kow  value. Based on the resulting geometric mean of log Koc = 4.65 (Koc = 44242 L/kg) the substance is considered as "immobile" in sediments and soil.

Key value for chemical safety assessment

Koc at 20 °C:
44 242

Additional information

Discussion of results

 

As no single computational model could be identified which would fit completely to this task, the Koc of BMDBM 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 BMDBM of 6.1.

Method

Koc (L/kg)

log Koc

Gerstl method

17378

4.24

Sabljic method (phenols)

36058

4.56

PCKOCWIN Kow method

55706

4.75

Sabljic method (hydrophobic substances)

109648

5.04

Geometric mean

44242

4.65

 

The resulting geometric mean of log Koc = 4.65 (Koc = 44242 L/kg) is considered as valid as it is being supported by several different QSPR approaches. Therefore, the substance is considered as "immobile" in sediments and soil.

Waiving of further adsoprtion/desorption studies

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