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EC number: 211-681-0 | CAS number: 685-63-2
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:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Henry's Law constant was calculated from the ratio of the vapour pressure to the water solubility following the Equation R16-4 reported in the ECHA Guidance on Information Requirements and Chemical Safety Assessment_ Chapter R.16: Environmental Exposure Estimation_ Version 3.0, February 2016.
- Key result
- H:
- 147 592 Pa m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 101 325 Pa
- Remarks on result:
- other: calculated
- H:
- 1.46 atm m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: calculated
- Conclusions:
- The Henry's Law constant was calculated for Hexafluorobutadiene at 20°C:
HLC = 147592 Pa m3/mol
Reference
As Hexafluorobutadiene is a gas at room temperature volatilisation from aqueous medium is expected to be rapid.
The Henry’s Law Constant can be determined by calculation using the ratio of the vapour pressure to the water solubility as stated in the equation R16-4 (ECHA guidance R16, version 3.0, February 2016)
HLC = (Vapour Pressure * Molecular Weight) / Water Solubility
With:
VP in Pascal
MW g/mol
Water solubility in mg/L
Since Hexafluorobutadiene is a gas at room temperature/atmospheric pressure, its vapour pressure is greater than the atmospheric pressure.
Henry's Law constant was thus calculated using the experimental value for water solubility of 230.5 mg/l at 20°C.
MW: 162.03 g/mol.
HLC = 2.01*10+5 (Pa) x 162.03 (MW) / 230.5 g/m3=147592 Pa.m3.mol-1or 1.46 atm.m3.mol-1
Description of key information
The Henry's Law Constant was estimated by calculation using the experimental value available for water solubility at 20°C.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 148 000
- at the temperature of:
- 25 °C
Additional information
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