Sodium lactate

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2022-11-17

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

Justification for type of information:

The test item Sodium lactate is only available and marketed as concentrated aqueous solution due to the substance's hygroscopic properties. Experimental determination of the vapour pressure of an aqueous solution is not reasonable because the result will be highly influenced by the vapour pressure of water. Therefore, the vapour pressure of the test item is estimated by QSAR prediction. Please refer to QPRF/QMRF documentation for detailed information on model suitability.

Qualifier:

according to guideline

Guideline:

other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals

Version / remarks:

May 2008

Principles of method if other than guideline:

QSAR prediction using MPBPVP v1.43 of EpiSuite v4.1.

GLP compliance:

no

Type of method:

other: QSAR calculation.

Specific details on test material used for the study:

Canonical: CC(C(=O)[O-])O.[Na+]
Stereoisomers do exist. The input of the respective canonical SMILES for Sodium (S)-lactate and Sodium (R)-lactate all result in identical QSAR predictions. Stereochemistry is not expected to influence vapour pressure predictions for the different lactates.

Key result

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: Modified grain method.

See QPRF/QMRF.

Conclusions:

The calculated vapour pressure for Sodium lactate is based on an estimated melting point (174.03 °C) and an estimated boiling point (436.66 °C). Therefore, the accuracy of the prediction is low. However, due to the substance’s hygroscopic properties, the test item Sodium lactate is only available and marketed as aqueous solution and therefore the vapour pressure estimation for the “pure” substance using the MPBPVP methodology is considered adequate for a regulatory conclusion. The estimated vapour pressure for Sodium lactate is 5.8E-8 Pa.

Executive summary:

The calculated vapour pressure of Sodium lactate is based on an estimated melting point and boiling point. However, crystalline Sodium lactate has strong hygroscopic properties and is extremely difficult to isolate. Therefore, the substance is only manufactured and marketed as a concentrated aqueous solution. It can be concluded that the experimental determination of the vapour pressure of an aqueous solution of Sodium lactate is not representative for the "pure" substance. Therefore, a QSAR estimation using MPBPVP v1.43 of EpiSuite v4.1 is considered to be more practical in this case. The estimated vapour pressure for "pure" Sodium lactate is 5.8E-8 Pa. The substance is considered to be in the applicability domain of the model and despite poor model accuracy, due to the usage of an estimated melting point and boiling point for vapour pressure prediction MPBPVP methodology is considered adequate for a regulatory conclusion.

Reference 2

Endpoint:

vapour pressure

Data waiving:

study technically not feasible

Justification for data waiving:

other:

Description of key information

The estimated vapour pressure for Sodium lactate is 5.8E-8 Pa.

 

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

The calculated vapour pressure of Sodium lactate is based on an estimated melting point and boiling point. However, crystalline Sodium lactate has strong hygroscopic properties and is extremely difficult to isolate. Therefore, the substance is only manufactured and marketed as a concentrated aqueous solution. It can be concluded that the experimental determination of the vapour pressure of an aqueous solution of Sodium lactate is not representative for the "pure" substance. Therefore, a QSAR estimation using MPBPVP v1.43 of EpiSuite v4.1 is considered to be more practical in this case. The estimated vapour pressure for "pure" Sodium lactate is 5.8E-8 Pa. The substance is considered to be in the applicability domain of the model and despite poor model accuracy, due to the usage of an estimated melting point and boiling point for vapour pressure prediction MPBPVP methodology is considered adequate for a regulatory conclusion.