Quaternary ammonium compounds, C12-14-alkyl[(ethylphenyl)methyl]dimethyl, chlorides

Henry's Law constant

Link to relevant study record(s)

Reference

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

From November 2001 to January 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Qualifier:

no guideline followed

Principles of method if other than guideline:

The volatility of a test substance is expressed as Henry's Law constant, and can be calculated from the measured vapour pressure and water solubility.

GLP compliance:

yes (incl. QA statement)

Key result

H:

< 0 Pa m³/mol

Temp.:

20 °C

Atm. press.:

1 atm

Results

The vapour pressure of test substance was determined to be 3.0 x 10^-5Pa at 20°C. The water solubility of test substance was determined to be greater than 1 g/mL at 20°C. The relative molecular mass of test substance was 377, assuming 68% C12 compound and 32% C14 compound, and therefore:

s= > (1×10³)/377×1000 mol/m3

Consequently,

Henry's Law constant, H was <1.1×10^-8Pa.m3/mol.

Conclusions:

Under study conditions, the Henry's law constant was calculated to be<1.1×10-8Pa.m3/mol.

Executive summary:

The Henry's law constant (Volatility) of the test substance, C12-14 ADEBAC, was calculated using its measured vapour pressure and water solubility values. Based on the vapour pressure (3 x 10^-5Pa) and water solubility (1 g/mL) of the test substance at 20°C, the Henry's law constant was calculated to be <1.1×10^-8Pa.m3/mol. Under study conditions, the Henry's law constant was calculated to be<1.1×10^-8Pa.m3/mol, indicating that the test substance is non-volatile (Sydney, 2002).

Description of key information

The Henry's law constant was calculated to be<1.1×10^-8Pa.m3/mol, indicating that the test substance is non-volatile.

Key value for chemical safety assessment

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

0

at the temperature of:

20 °C

Additional information

The Henry's law constant (Volatility) of the test substance, C12-14 ADEBAC, was calculated using its measured vapour pressure and water solubility values. Based on thevapour pressure (3 x 10^-5Pa) and water solubility (1 g/mL) of the test substance at 20°C,the Henry's law constant was calculated to be<1.1×10^-8Pa.m3/mol. Under study conditions, the Henry's law constant was calculated to be<1.1×10^-8 Pa.m3/mol, indicating that the test substance is non-volatile (Sydney, 2002).