Imidazolium compounds, 2-C17-unsatd.-alkyl-1-(2-C18-unsatd. amidoethyl)-4,5-dihydro-N-methyl, Me sulfates

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:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: no information available whether the calculation model is validated for the substance under investigation

Principles of method if other than guideline:

Henry's Law Constant of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates was calculated using EPIWIN v3.20, HENRYWIN v3.10.

A Henry's Law Constant of 5.43 x 10E-16 atm x m³/mole which corresponds to 5.5 x 10E-11 Pa x m³/mole at 25°C was calculated using EPIWIN v3.20, HENRYWIN v3.10 (bond method). The estimation based on the calculated water solubility and vapor pressure (EPIWIN calculations) according to H=vp/ws gave a Henry's Law Constant of 9.8 x 10E-13 atm x m³/mole (9.9 x 10E-8 Pa x m³/mole) at 25°C. Based on the results the substance under investigation can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.

Conclusions:

Henry's Law Constant of imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates was calculated using EPIWIN v3.20, HENRYWIN v3.10 (bond method). The calculation yielded a very low value (5.43 x 10E-16 atm x m³/mole; 5.5 x 10E-11 Pa x m³/mole at 25°C each). The estimation based on the calculated water solubility and vapor pressure (EPIWIN calculations) according to H=vp/ws gave a Henry's Law Constant of 9.8 x 10E-13 atm x m³/mole (9.9 x 10E-8 Pa x m³/mole) at 25°C. The calculated Henry's Law Constants indicate that the substance can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.

Description of key information

Volatilisation of oleic-acid based IQAC, DMS quaternised is negligible.

Additional information

Henry's Law Constant of oleic-acid based IQAC, DMS quaternised was calculated using EPIWIN v3.20, HENRYWIN v3.10 (bond method). The calculation yielded a very low value (5.43 10E-16 atm m³/mole; 5.5 10E-11 Pa m³/mole at 25°C each). The estimation based on the calculated water solubility and vapour pressure (EPIWIN calculations) according to H=vp/ws gave a Henry's Law Constant of 9.8 10E-13 atm x m³/mole (9.9 10E-8 Pa m³/mole) at 25°C. The calculated Henry's Law Constants indicate that the substance can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care. This is supported the fact that oleic-acid based IQAC, DMS quaternised has an ionic structure and a relatively high molecular weight of 733 g/mol.