Registration Dossier
Registration Dossier
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EC number: 203-450-8 | CAS number: 106-99-0
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The calculated Henry's Law constant is 7150 Pa m³/mol
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 7 150
- at the temperature of:
- 20 °C
Additional information
The Henry's Law constant of 1,3-butadiene has been calculated by a QSAR model with two modules recommended by ECHA (2008) Guidance on information requirements and chemical safety assessment R7a Endpoint specific guidance. The calculated values (7150 and 7900 Pa.m3/mol) indicate that volatilisation from water is expected to occur at a rapid rate. These values are supported by a calculated value of 15972 Pa.m3/mol, based on the physico-chemical properties of the substance. The value of 7150 Pa.m3/mol has been used in the derivation of the soil PNEC as this is considered to give the worst case scenario, with the lowest volatilisation rate resulting in the highest concentration in water and therefore in soil.
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