Acetonitrile

Henry's Law constant

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Remarks:

Estimated via US EPA HENRYWIN software (v3.10)

Adequacy of study:

weight of evidence

Reliability:

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

Remarks:

Model cited in R.7 guidance

Principles of method if other than guideline:

HENRYWIN v3.10 Model

GLP compliance:

no

H:

8 Pa m³/mol

Remarks on result:

other: Based on vapor pressure of 200 mm Hg and water solubility of 1.37E5 mg/L. Volatilization half-lives for a model river and model lake were estimated to be 18 hours and 7 days, respectively.

US EPA HENRYWIN software (v3.10) calculated a Henry's Law Constant of 7.902E-5 atm-m3/mole (8.0 Pa-m3/mole) for acetonitrile based on vapor pressure of 200 mm Hg and water solubility of 1.37E5 mg/L. Based on this value, volatilization half-lives for a model river and model lake were estimated to be 18 hours and 7 days, respectively.

Executive summary:

US EPA HENRYWIN software (v3.10) calculated a Henry's Law Constant of 7.902E-5 atm-m3/mole (8.0 Pa-m3/mole) for acetonitrile based on vapor pressure of 200 mm Hg and water solubility of 1.37E5 mg/L. Based on this value, volatilization half-lives for a model river and model lake were estimated to be 18 hours and 7 days, respectively.

Reference 2

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

Data source cited in R.7 guidance

Principles of method if other than guideline:

No information available. Review article source.

GLP compliance:

not specified

H:

3.5 Pa m³/mol

Temp.:

20 °C

Executive summary:

A Henry's Law constant of 3.45 x 1 0E5 atm m3 mole-1 (3.5 Pa-m3/mole) at 25 deg C is reported for acetonitrile in HSDB (2009) and cited to Gaffney (1987)

Reference 3

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

Limited information available

Principles of method if other than guideline:

No information available

GLP compliance:

not specified

H:

2.07 Pa m³/mol

H:

2.9 Pa m³/mol

Henry's Law constants of 2.07 - 2.9 Pa m3 mole-1 have been reported for acetonitrile (Snider and Dawson, 1985; Hine and Mookerjee, 1975)

Executive summary:

Henry's Law constants of 2.07 - 2.9 Pa m3 mole-1 have been reported for acetonitrile (Snider and Dawson, 1985; Hine and Mookerjee, 1975)

Description of key information

Henry's Law constants have been reported for acetonitrile ranging from 2.07 - 8.0 Pa-m3/mole, indicating the potential for volatilization from surface waters and moist soils.

Key value for chemical safety assessment

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

3.5

at the temperature of:

20 °C

Additional information

Henry's Law constants have been reported for acetonitrile ranging from 2.07 - 8.0 Pa-m3/mole (Snider and Dawson, 1985; Hine and Mookerjee, 1975; Gaffney, 1987 as cited in HSDB, 2009). These values indicate that volatilization of acetonitrile from surface waters and moist soils is likely to be significant (Howard, 1993).

US EPA HENRYWIN software (v3.10) calculated a Henry's Law Constant of 7.902E-5 atm-m3/mole (8.0 Pa-m3/mole) for acetonitrile based on vapor pressure of 200 mmHg and water solubility of 1.37E5 mg/L. Based on this value, volatilization half-lives for a model river and model lake were estimated to be 18 hours and 7 days, respectively.