Registration Dossier
Registration Dossier
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EC number: 202-377-9 | CAS number: 94-96-2
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The adsorption coefficient (Koc) was estimated by KOCWIN v2.00, a validated (Q)SAR model within U.S. EPA's EPI-Suite, a publicly-available modeling software. This is a validated (Q)SAR model contained with the OECD QSAR Toolbox.
Key value for chemical safety assessment
- Koc at 20 °C:
- 128.8
Additional information
The adsorption coefficient (Koc) was estimated by KOCWIN v2.00 as Koc = 128.8 L/kg, based on the Estimation from Kow methodology, using the user-entered, experimentally-determined value for partition coefficient of log Kow = 3.63. This value based on Estimation from Kow wasbased on an experimentally-determined partition coefficient; this value was therefore preferred over the value based on Estimation from Molecular Conectivity Index (Koc = 10 L/kg), and was selected as the key value for adsorption coefficient.
[LogKoc: 2.1101]
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