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EC number: 202-876-1 | CAS number: 100-66-3
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)
- Remarks:
- estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method.
- Principles of method if other than guideline:
- Calculation according to the equation R16-4 of the guidance on information requirements and chemical safety assessment - chapter R16: environmental exposure assessment (ECHA 2012)
- GLP compliance:
- no
- H:
- 27.77 Pa m³/mol
- Temp.:
- 25 °C
- Conclusions:
- The Henry's Law Constant has been calculated to be 27.77 Pa.m3/mol. Therefore, anisole is considered as moderately volatile from water at 25°C.
- Executive summary:
The Henry's Law constant of anisole has been calculated according to the equation R16 -4 of the guidance on information requirements and chemical safety assessment - chapter R16: environmental exposure assessment (ECHA 2012).
The equation used is the following :
HENRY = ( VP x MOLW ) / SOL
With :
VP = 470 Pa at 25°C
MOLW = 108.14 g/mol
SOL = 1830 mg/L at 25°C (data extrapolated from the measured value of 1710 mg/L at 20°C).
The Henry's Law Constant has been calculated to be 27.77 Pa.m3/mol. Therefore, anisole is considered as moderately volatile from water at 25°C.
Reference
Calculation made with (vapour pressure and water solubility values have not been measured at the same temperature. Therefore, the water solubility has been extrapolated to the data at 25°C using EUSES calculation):
VP = 470 Pa at 25°C
MOLW = 108.14 g/mol
SOL = 1830 mg/L at 25°C (data extrapolated from the measured value of 1710 mg/L at 20°C)
Description of key information
The Henry's Law Constant has been calculated to be 27.77 Pa.m3/mol. Therefore, anisole is considered as moderately volatile from water at 25°C.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 27.77
- at the temperature of:
- 25 °C
Additional information
The Henry's Law constant of anisole has been calculated according to the equation R16 -4 of the guidance on information requirements and chemical safety assessment - chapter R16: environmental exposure assessment (ECHA 2012).
The equation used is the following :
HENRY = ( VP x MOLW ) / SOL
With :
VP = 470 Pa at 25°C
MOLW = 108.14 g/mol
SOL = 1830 mg/L at 25°C (data extrapolated from the measured value of 1710 mg/L at 20°C)
The Henry's Law Constant has been calculated to be 27.77 Pa.m3/mol. Therefore, anisole is considered as moderately volatile from water at 25°C.
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