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EC number: 291-768-8 | CAS number: 90480-35-6
Henry's Law constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Henry's law constant is calculated in accordance with ECHA's Guidance document R16, equation R16-4.
- Principles of method if other than guideline:
- Henry's law constant is calculated in accordance with ECHA's Guidance document R16, equation R16-4 using the experimentally determined values for vapour pressure and water solubility.
- Key result
- H:
- 5.36 Pa m³/mol
- Temp.:
- 20 °C
- Atm. press.:
- 1 atm
- Conclusions:
- The Henry's law constant was calculated to be 5058.2 Pa m³/mol.
- Executive summary:
The HLC was calculated in accordance with equation R.16-4 of the ECHA Guidance on IR & CSA, using experimentally determined values for vapour pressure and water solubility. The resulting value is: HLC = 5058.2 Pa m3/mol at 20°C.
Reference
Henry's Law Constant (HLC) is calculated as described in ECHA's Guidance on Information Requirements and Chemical Safety Assessment R.16, using the following equation:
HLC = VP * MW / WS
With:
- VP = Vapour pressure expressed in Pa
- MW = Molecular weight expressed in g/mol
- WS = Water Solubility expressed in mg/L (which is equivalent to g/m3)
- HLC = Henry constant expressed in Pa * m3 / mol
The input parameters used are:
- VP = 4190 Pa at 20°C
- MW = 134 g/mol, note that the substance is an UVCB. The molecular weight of the most important constituent has been selected for the calculation of the Henry's law constant. The MW selected is that of p-cymene, present 25 -33%.
- WS = 111 mg/L at 20°C
Hence, the resulting HLC is:
HLC = 5058.2 Pa * m3 / mol
Description of key information
Henry's law constant was calculated in accordance with equation R.16-4 of the ECHA Guidance on IR & CSA, using experimentally determined values for vapour pressure and water solubility. The resulting value is: HLC = 5058.2 Pa * m3/ mol at 20°C
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 5 058.2
- at the temperature of:
- 20 °C
Additional information
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