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EC number: 252-161-3
CAS number: 34708-08-2
Henry's Law Constant:
Calculated HLC for the parent substance at 25°C: 0.72 Pa m3mol-1
Calculated HLC for silanol hydrolysis product at 25°C: 2.8E-10 Pa m3mol-1
The transfer of a substance from the water phase to the gas phase can be estimated by means of the Henry’s Law Constant (HLC). No measured value for this parameter is available.
The HLC for the parent submission substance can be estimated from the ratio of the vapour pressure (VP) to the water solubility (WS) as shown below.
HLC = (VP x MW)/WS
Where MW is molecular weight.
The calculated HLC value for the parent submission substance at 25°C is low, 0.72 Pa m3mol-1
For the silanol hydrolysis product, (3-thiocyanatopropyl)silanetriol, the predicted water solubility limit cannot be validated accurately due to condensation phenomena. The HLC can be estimated using the established Bond method from HENRYWIN v. 3.20 within the EPIWeb suite v4.11. This method derives the Henry's Law Constant directly from the structure, as the sum of the bond contribution values for each chemical bond in the molecule. The bond contribution values were determined based on least-square regression analysis of measured HLCs for organic compounds.
The calculated HLC value for the silanol hydrolysis product at 25°C is low, 2.8E-10 Pa m3mol-1
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