Registration Dossier
Registration Dossier
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EC number: 201-137-0 | CAS number: 78-73-9
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
RA_CAS 67-48-1_QSAR Calculation_HENRYWIN v3.20 (EPIWIN software by US-EPA): 2.05E-11 Pa*m³/mol at 25 °C
Key value for chemical safety assessment
Additional information
The distribution of Choline hydrogen carbonate between aqueous solutions and air could not be determined by the computer program HENRYWIN v3.20 (EPIWIN software) since the substance is out of the applicability domain. Since the value is required for the chemical safety assessment (CSA), a read-across is intended to the analogue Choline chloride (CAS 67-48-1). This procedure is reliable based on the chemical structure and behaviour of both substances (please refer for further details to the separate read-across statement by Chemservice S.A., 2013). 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 ration of the equilibrium concentration of a dissolved substance in air and water. The applied QSAR software estimates two separate HLC values (one using the group method and one using the bond method). The bond contribution methodology splits a compound into smaller units (one atom to another atom only). The bond method includes individual hydrogen bond values; the group method does not.Using the Bond Method of the computer program HENRYWIN from US-EPA a Henry´s Law Constant of 2.05E-11 Pa*m3/mol was calculated for the substance Choline chloride at 25 °C. The Group Method showed an “incomplete Result”.
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