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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: 1.9E-02
Calculated HLC for silanol
hydrolysis product at 25°C: 2.8E-10 Pa m3mol-1
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.
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.
calculated HLC value for the parent submission substance at 25°C is low,
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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