Registration Dossier
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EC number: 300-326-6 | CAS number: 93925-25-8
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
Calculated based on measured vapour pressure, mean molecular weight and water solubility upper limit; therefore the value represents a minimum value
Key value for chemical safety assessment
Additional information
Experimental data on Henry's Law Constant (H) are not available for the submission item, but calculation based on measured properties was performed as this constant is an important parameter determining the potential to be lost to the atmosphere by evaporation. It is a measure of its equilibrium between an ideal solution phase and the vapour pressure. The molecular weight, water solubility and the vapour pressure can be used to estimate Henry’s Law Constant [Pa · m³/mol].
H = (Pvp · MW) / S
where:
H = Henry's law constant [Pa·m³/mol]
Pvp = Vapour pressure = 0.00043 Pa at 25 °C (Tremain & Atwal 2011, Harlan Report no. 41103264)
MW = Molecular Weight of submission item (based on idealized structures) = (605.5 + 369.25)/2 = 487.4 [g/mol]
S = Water solubility < 0.101 mg/L = < 0.101 g/m³ at 20.0 ± 0.5 °C (Fox & White 2012, Harlan Report no. 41103263)
For the submission item the following was calculated:
H = (0.00043 · 487.4) / < 0.101 Pa·m³/mol which gives > 2.1 Pa·m³/mol
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