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Environmental fate & pathways

Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non GLP, QSAR calculation, acceptable with restrictions.
Justification for type of information:
Episuite and the HenryWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
HENRYWIN estimates the Henry's Law Constant of organic compounds at 25°C using the methodology originally described by Hine and Mookerjee (1975) and updated and expanded at Syracuse Research Corporation as described in Meylan and Howard (1991). Subsequent versions include additional fragment and correction factors and an experimental Henry's law constant database of 1829 compounds.
GLP compliance:
not specified
Remarks:
Not applicable
Specific details on test material used for the study:
N/A
Key result
H:
0.162 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: Group estimation method
H:
0.01 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: Bond estimation method
H:
0.228 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: Experimental database

N/A

Conclusions:
The Henry's Law Constant of ethylene is 0.162 atm m^3/mole.
Executive summary:

The Henry's Law Constant has been taken from a QSAR estimate. The values determined using the group and bond contribution methods are 0.162 and 0.00978 atm m3/mole respectively. The experimental database gave a value of 0.228 atm m3/mole respectively for ethylene.

Description of key information

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.162
at the temperature of:
25 °C

Additional information

The Henry's Law Constant has been taken from a QSAR estimate. The values determined using the group and bond contribution methods are 0.162 and 0.00978 atm m3/mole respectively. The experimental database gave a value of 0.228 atm m3/mole respectively for m-xylene.