Registration Dossier
Registration Dossier
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EC number: 225-004-1 | CAS number: 4602-84-0
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption: Based on a log Kow of 4.72 (weighted average), the Koc was 1332 L/kg and the log Koc was 3.1244. Based on the molecular connectivity index, the Koc was 1666 L/kg and the log Koc was 3.22. Using the mean of the results from the log Kow and MCI method, the Koc was determined to be 1499 L/kg and the log Koc was 3.176.
Henry's Law constant: The Henry's law constant is calculated to be 578 Pa m3/mol at 25°C.
Additional information
Adsorption / desorption: The adsorption coefficient has been calculated by QSAR (KOCWIN v2.0) and is considered reliable with restriction (Klimisch 2) for this endpoint as it is within the molecular weight domain and a correction factor is available for a suitable substance structural fragment. Based on a log Kow of 4.72 (weighted average), the Koc was 1332 L/kg and the log Koc was 3.1244. Based on the molecular connectivity index, the Koc was 1666 L/kg and the log Koc was 3.22. Using the mean of the results from the log Kow and MCI method, the Koc was determined to be 1499 L/kg and the log Koc was 3.176.
Henry's Law constant: The Henry's law constant for the test substance was calculated according to ECHA guidance R.16: Environmental exposure assessment (ECHA 2016), using experimental data for water solubility and vapour pressure. The Henry's law constant is calculated to be 578 Pa m3/mol at 25°C. This result is reliable with restrictions (Klimisch 2) as the experimental values were reported from two good quality studies (Klimisch 1).
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