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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)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
The Henry Law Constant was calculated using HENRYWIN v3.10.
GLP compliance:
not specified
H:
3.9 Pa m³/mol
Remarks on result:
other: Temperature and atm. press. not reported; value based on bond estimation (value cited from: US-EPA 2004)
H:
3.8 Pa m³/mol
Remarks on result:
other: Temperature and atm. press. not reported; value based on group estimation (value cited from: US-EPA 2004)
Key result
H:
1.4 Pa m³/mol
Remarks on result:
other: value calculated on basis of vapour pressure of 0.06 hPa (see IUCLID section 4.6) and calculated value of water solubility (0.6 g/L, see IUCLID section 4.8)
Conclusions:
The Henry Law Constant of 2-chlorobenzonitrile is reported to be between 1.4 and 3.9 Pa m³/mol.
Executive summary:

The Henry Law Constant of 2-chlorobenzonitrile based on bond estimation and group estimation is 3.8 and 3.9 pa m³/mol, respectively (data source: US EPA). The Henry Law Constant based on vapour pressure of 0.06 hPa (see IUCLID section 4.6) and the calculated value of water solubility (0.6 g/L, see IUCLID section 4.8) is 1.4 Pa m³/mol.

These results indicate that 2-chlorobenzonotrile is only moderatly volatile from water.

Description of key information

The Henry Law Constant of 2-chlorobenzonitrile based on bond estimation and group estimation is 3.8 and 3.9 pa m³/mol, respectively. The Henry Law Constant based on vapour pressure of 0.06 hPa and the calculated value of water solubility (0.6 g/L) is 1.4 Pa m³/mol.
These results indicate that 2-chlorobenzonitrile is only moderately volatile from water.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
1.4

Additional information

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