Registration Dossier
Registration Dossier
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EC number: 218-002-7 | CAS number: 2035-93-0
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The Henry's Law constant for 4-Methyl-4-phenylpentan-2-ol was estimated to be 0.0908 Pa m3/mol (Bond Contribution Method) and 0.0451 Pa m3/mol (Group Contribution Method) at 25 °C.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.091
- at the temperature of:
- 25 °C
Additional information
The Henry’s Law constant were estimated using the QSAR model HENRYWIN v 3.20 available in EPI Suite using experimental water solubility and vapour pressure data. The model is considered reliable and appropriate to estimate this endpoint. The Bond Method is able to estimate many more types of structures than the Group Method and was therefore considered the most suitable method to estimate the Key value.
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