Registration Dossier
Registration Dossier
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EC number: 216-378-7 | CAS number: 1569-69-3
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The Henry's Law Constant (HLC) of 4.81E+002 Pa-m3/mole was estimated using the model HENRYWIN, EPI Suite (US EPA, 2013c). The substance falls within the applicability domain described above and therefore the predicted value can be considered as reliable taking into account the statistical information for the Bond method training and validation datasets.
The predicted value was used for completing the registration documentation for transported intermediate..
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 481
- at the temperature of:
- 25 °C
Additional information
HENRYWIN is based on methodology originally described by Hine and Mookerjee but has been updated with additional fragments and correction factors and to allow estimation at different temperatures. HENRYWIN uses three different estimation methods and the Bond contribution method estimate has a larger set of fragments thus can provide estimates for many more structure types.
Currently there is no universally accepted definition of model domain. However, users may wish to consider the possibility that estimates are less accurate for compounds outside the MW range of the training set compounds, and/or that have more instances of a given bond or correction factor than the maximum for all training set compounds. Limits for applicability is Molecular Weight (MW): Minimum: 26.04 and Maximum: 451.47. MW of cyclohexanethiol is 116.22.
The estimated HLC of 4.81E+002 Pa-m3/mole (US EPA, 2013c) indicate that the material will be volatile from water
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