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Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation of Henry's Law Constant
GLP compliance:
not specified
Key result
H:
0 atm m³/mol
Temp.:
20 °C

Pvp = 4.04 x 10-5 Pa = 3.0 x 10-7 mmHg

S = 215 µg/L = 2.15 x 10-7 g/mL

H = Pvp x 1 atm/760 mm / (S x 1/(mol wt) x 1 x 106 mL/m3)

H = 3.0 x 10-7 mm x 1 atm/760 mm / (2.15 x 10-7 g/mL x 1/350.0 g/mole x 1 x 106 mL/m3

Conclusions:
The Henry's Law constant of 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite was determined by calculation to be 6.4 x 10E-7 atm m3/mole.
Executive summary:

The Henry's Law constant of 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite was determined by calculation to be 6.4 x 10E-7 atm m3/mole.

Description of key information

The Henry's Law constant of 2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite was determined by calculation to be 6.4 x 10E-7 atm m3/mole (calculated to be 0.064848 Pa/mole).

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.065
at the temperature of:
20 °C

Additional information

The value of 6.4 x 10-7 at m3/mole has been determined to be equivalent to 0.000026 (dimensionless)

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