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Environmental fate & pathways

Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline required
Principles of method if other than guideline:
The Henry´s Law Constant of the substance was calculated by using the computer program EUSES v2.1. This parameter is calculated from temperature corrected experimental vapour pressure and water solubility.
GLP compliance:
no
H:
0.009 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Henry´s law constant is calculated based on temperature-corrected experimental vapour pressure and water solubility
Conclusions:
The study report describes a scientifically accepted calculation method to determine the Henry´s Law Constant using EUSES v2.1. No GLP criteria are applicable for the usage of this tool and the estimation is easily repeatable. The Henry's Law Constant of the substance was estimated to be 8.18E-03 Pa m³/mol at 25°C and estimated from the ratio of the vapour pressure (0.011 Pa at 20°C) and the water solubility (194 mg/L at 20°C).
Executive summary:

The Henry´s Law constant of T001036 was determined by using EUSES v2.1 (Arcadis, 2016).Henry´s law states that the solubility of a gas in a liquid solution at a constant temperature will be proportional to the partial pressure of the gas which is above the solution (Henry, 1803). Sometimes, the term “air/water partition coefficient” refers to the dimensionless Henry´s law constant (HLC) and therefore describes the ratio of the equilibrium concentration of a dissolved substance in air and water. This parameter is calculated based on temperature-corrected experimental vapour pressure and water solubility. A very low Henry´s Law Constant (8.18E-03 Pa m3/mol) was calculated for T001036 related to 25 °C.

Description of key information

The study report describes a scientifically accepted calculation method to determine the Henry´s Law Constant using EUSES v2.1. No GLP criteria are applicable for the usage of this tool and the estimation is easily repeatable. The Henry's Law Constant of the substance was estimated to be 8.18E-03 Pa m³/mol at 25°C and estimated from the ratio of the vapour pressure (0.011 Pa at 20°C) and the water solubility (194 mg/L at 20°C).

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.008
at the temperature of:
25 °C

Additional information


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