Sodium N-methyltaurinate

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Estimations are based on the Antoine method, Modified grain method and Mackay method, MPBVP v1.43, using EPI Suite.

Principles of method if other than guideline:

Estimations are based on the Antoine method, Modified grain method and Mackay method, MPBVP v1.43. For the models, the estimated boiling point: 493.73 °C (4.3) and melting point 209.67 °C (4.2) are used.

GLP compliance:

not specified

Type of method:

other: estimated by calculation

Specific details on test material used for the study:

Calculation is based on the structure of sodium N-methyltaurinate
- Name of test material (as cited in study report): Ethanesulfonic acid, 2- (methylamino)-, monosodium salt

Temp.:

25 °C

Vapour pressure:

> 0 - < 0 Pa

Vapour pressure estimations (25°C):

Antoine method1.07E-9 Pa  Modified Grain method  5.78E-8 Pa  Mackay method  1.67E-7 Pa

Selected vapour pressure - Modified Grain method: 5.78E-008 Pa

Subcooled liquid vapour pressure (25°C) - Mod-Grain method: 5.27E-006 Pa

Conclusions:

The vapour pressure of sodium N-methyltaurinate is approximately 5.78E-8 Pa at 25 °C.

Executive summary:

The estimated values for the vapour pressure calculated by using the Antoine method, Modified Grain method and Mackay method differ in a range of > 1.07E-9 Pa and < 1.67E-7 Pa. All used models are calculated for an ambient temperature of 25 °C. From the model predictions, the Modified Grain method is selected to provide an appropriate value for the vapour pressure. The estimated value by the Modified Grain method is 5.78E-8 Pa and is between the estimations of the other two models. Thus, we consider the predicted value of 5.78E-8 Pa to provide a reliable approximation of the vapour pressure, since empirical data has not been observed.

Description of key information

The estimation by calculation for the vapour pressure is 5.78E-8 Pa

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

For the prediction of the vapour pressure, three different models are available, the Antoine method, Modified Grain method and Mackay method. The predictions vary from 1.07E-9 Pa to 1.67E-7 Pa. All calculations are based on ambient temperature of 25 °C. From the model predictions, the Modified Grain method is selected to provide an appropriate value for the vapour pressure. The estimated value by the Modified Grain method is 5.78E-8 Pa and is between the estimations of the two other models. We expect that the predicted value of 5.78E-8 Pa provides a reliable approximation of the vapour pressure, since empirical data have not been observed.