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Description of key information

Henry's Law Constant:

Calculated HLC for Cyrene™ at 25°C: 6.3E-03 Pa m3mol-1

Calculated HLC for Gem Diol at 25°C: 3.9E-07 Pa m3mol-1

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0
at the temperature of:
25 °C

Additional information

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 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 Cyrene™ and Gem Diol at 25°C is very low, 6.3E-03 Pa m3mol-1 and 3.9E-7 Pa m3mol-1 respectively (HenryWin v 3.20).