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Henry's Law constant

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Henry's law constant
Type of information:
Adequacy of study:
key study
Study period:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Episuite and the HenryWin models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
no guideline required
Principles of method if other than guideline:
HENRYWIN estimates the Henry's Law Constant of organic compounds at 25°C using the methodology originally described by Hine and Mookerjee (1975) and updated and expanded at Syracuse Research Corporation as described in Meylan and Howard (1991). Subsequent versions include additional fragment and correction factors and an experimental Henry's law constant database of 1829 compounds.
Key result
0.011 Pa m³/mol
25 °C
Atm. press.:
1 atm
Remarks on result:
other: calculated (QSAR)
The predicted HLC forthe sodium benzoate was 1.10E-02 Pa.m^3/mol (Bond method).
Executive summary:

The Henry's Law Constant has been taken from a QSAR estimate. The values determined using the bond methods

was 1.10E-02 Pa.m^3/mol (Bond method).

The experimental database and calculations using estimated vapour pressure and water solubility gave values of 77700 and 14780 Pa.m3/mole.

The predicted HLC for this substance was 1.10E-02 Pa.m^3/mol (Bond method).

Description of key information

Calculated Henry's Law Constant (HLC) for constituents of this substance have been estimated using a QSAR model.

The predicted HLC for this substance was 1.10E-02 Pa.m^3/mol (Bond method).

Key value for chemical safety assessment

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

Additional information