Registration Dossier
Registration Dossier
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EC number: 216-378-7 | CAS number: 1569-69-3
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
There are no experimental data available of cyclohexanethil for estimations of the Octanol / Water Partition Coefficient (log Kow). Log Kow was estimated using model KOWWIN - EPI Suite (US EPA, 2013d), which estimates the log octanol-water partition coefficientof chemicals using an atom/fragment contribution method. In the "fragment constant" method, a molecule is divided into fragments (atoms or larger functional groups) and the assigned coefficient values for each fragment are added to give the Kow estimate, which is reported as a log.
The estimated Log Kow is 3.05.
The substance falls within the applicability domain and therefore the predicted value can be considered as reliable taking into account the statistical information for the log Kow estimation in training and validation datasets.
The predicted value was used for completing of registration dossier for transported intermediate.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.05
Additional information
- Molecular Weight (MW): minimum 18.02 and Maximum 991.8
Currently there is no universally accepted definition of model domain. However, users may wish to consider the possibility that log P estimates are less accurate for compounds outside the MW range of the training set compounds, and/or that have more instances of a given fragment than the maximum for all training set compounds. It is also possible that a compound may have a functional group(s) or other structural features not represented in the training set, and for which no fragment coefficient was developed. These points should be taken into consideration when interpreting model results.
Limits for applicability is:MW of cyclohexanethiol is 116.22.
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