Registration Dossier
Registration Dossier
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EC number: 440-520-9 | CAS number: 204583-39-1
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
LogPow= >3.5 at 25°C, estimated based on individual solubility
LogPow= 10.7 at 25°C, estimated using KOWWIN
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10.7
- at the temperature of:
- 25 °C
Additional information
The estimation was based individual solubility and based on theoretical fragmentation of the molecule using KOWWIN Version 1.6.
Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of test item. Thus, the log Pow-value for the test item was estimated by a model calculation.
The estimation of the partition coefficient of test item by a model calculation based theoretical fragmentation of the molecule into suitable substructures for which reliable Log Pow increments are known, seems to be more reliable. The Log Pow was obtained by summing the fragment values and the correction terms.
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