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Environmental fate & pathways

Henry's Law constant

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Administrative data

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Reference
Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation
Justification for type of information:
QSAR prediction:
Principles of method if other than guideline:
Henry’s law constant is one of the most important factors in determining the environmental fate of chemicals. This physical law states that the mass of gas dissolved by a given volume of solvent is proportional to the pressure of the gas with which it is in equilibrium. The HENRYWIN software tool estimates the Henry’s law constant based on experimental data of the test substance as follows: Vapor pressure / water solubility.
GLP compliance:
no
H:
0.45 Pa m³/mol
Temp.:
12 °C
Remarks on result:
other: value calculated based on measured vapour pressure and water solubility
Key result
H:
1.43 Pa m³/mol
Temp.:
20 °C
Remarks on result:
other: value calculated based on measured vapour pressure and water solubility
H:
2.87 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: value calculated based on measured vapour pressure and water solubility
Conclusions:
The Henry's law constant of the test substance was estimated with HENRYWIN (US EPA) using experimental data, i.e., water solubility (18 mg/L / 20°C) and vapour pressure (0.14 Pa at 20 °C and 0.28 Pa at 25°C), and amounts to 1.43 Pa m³/mol at 20 °C and 2.87 Pa m³/mol at 25 °C.

Description of key information

0.45 Pa m³/mol at 12 °C (estimated by calculation)
1.43 Pa m³/mol at 20 °C (estimated by calculation)
2.87 Pa m³/mol at 25 °C (estimated by calculation)

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
1.43
at the temperature of:
20 °C

Additional information

The Henry`s law constant of the test item is calculated with HENRYWIN v3.20 using the experimental data of vapour pressure (0.14 Pa at 20 °C) and water solubility (18 mg/L at 20 °C). Henry's law constant for the test substance was found to be 1.43 Pa m³/mol at 20 °C.