Registration Dossier
Registration Dossier
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EC number: 217-589-7 | CAS number: 1897-52-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption coefficient 251.35 l/kg; EPI Suite v4.00: KOCWIN v2.00, Office of Pollution Prevention Toxics (OPPTS) and Syracuse Research Corporation, 2011
Key value for chemical safety assessment
Additional information
The adsorption coefficient of the test material was estimated using the KOCWIN component of the EPI Suite model predictions. KOCWIN estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc. Koc was estimated using the Sabljic molecular connectivity method with improved correction factors in the first instance and also using the traditional method based on log Kow. Both predictions were run using the SMILES code C(#N)c(c(F)cccl)clF.
Koc values of 257 l/kg and 245.7 l/kg were obtained. Both values are in good agreement with each other and the median value, 251.35 l/kg, was taken forward for risk assessment.
Since both values were obtained from calculation method software, with a high level of uncertainty, rather than experimental results, a reliability score of 4 was assigned.
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