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EC number: 410-690-9 | CAS number: 103055-07-8 CGA 184699
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
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculation
- GLP compliance:
- no
- Key result
- H:
- < 0.044 Pa m³/mol
- Temp.:
- 25 °C
- Conclusions:
- Based on the water solubility and vapour pressure of the test substance at 25°C, the Henry's law constant was calculated to be: < 4.2E-02 Pa m³ / mol
- Executive summary:
Henry's law constant, H, is calculated from the following equation: H = Pvp/Sw [m³ Pa /mol]
Where:
Pvp= vapour pressure [Pa],
Sw = watersolubility [mol/m³].
This equation is the method of choice when reliably measured values of Pvp and SWare available, which is the case for the test substance (mol. weight = 511.2 g/mol). Water solubility at 25°C (pH 7) = 4.6E-05 g/L and vapour pressure at 25°C < 4.0E-06 Pa. Based on these results Henry's law constant was calculated to be: < 4.2E-02 Pa m³/mol.
Reference
Description of key information
All available data was assessed and the study representing the worst-case effect was included as key study. Other study is included as supporting information. The key study is considered to be worst-case and was selected for the CSA.
The Henry's law constant is calculated to be < 4.2E-02 Pa m3/mol.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.042
- at the temperature of:
- 25 °C
Additional information
There are two calculations available for this endpoint. The calculated result representing the worst-case (i.e. higher Henry’s law constant) was included as key study. The equation ‘H = Vapor pressure/Solubility’ was used. Henry's law constant was calculated to be: < 4.2E-02 Pa m³/mol. In the supporting study, the same equation was used. The Henry's law constant was calculated to be 3.38E-07 atm m³/mol.
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