Lithium acetate

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Data waiving:

other justification

Justification for data waiving:

other:

Reference 2

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

supporting study

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:

Please refer to the QMRF and QPRF files provided under the section attached justification.

Qualifier:

according to guideline

Guideline:

other: ECHA Guidance on IR/CSA Chapter R.6

Deviations:

no

Principles of method if other than guideline:

Estimation of vapour pressure using the Antoine method of MPBPwin v1.43

GLP compliance:

no

Type of method:

other: Calculation

Specific details on test material used for the study:

SMILES: CC(=O)O([Li])

Temp.:

25 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: The substance is within the applicability domain of the model.

Key result

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: The substance is within the applicability domain of the model.

Vapor Pressure Estimations (25 deg C):

(Using BP: 392.35 deg C (estimated))

(Using MP: 280.00 deg C (user entered))

VP: 4.74E-009 mm Hg (Antoine Method)

: 6.31E-007 Pa (Antoine Method)

VP: 1.94E-008 mm Hg (Modified Grain Method)

: 2.59E-006 Pa (Modified Grain Method)

VP: 7.79E-008 mm Hg (Mackay Method)

: 1.04E-005 Pa (Mackay Method)

Selected VP: 1.94E-008 mm Hg (Modified Grain Method)

: 2.59E-006 Pa (Modified Grain Method)

Subcooled liquid VP: 1.27E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0017 Pa (25 deg C, Mod-Grain method)

Conclusions:

Using MPBPWIN v1.43 the vapour pressure of the test item was calculated to be 2.59E-6 at 25 °C. The substance is within the applicability domain of the model.

Executive summary:

The vapour pressure was calculated using MBBPWIN v1.43 as part of EPISuite v4.11 from US Environmental Protection Agency.

Using using MBBPWIN v1.43 the vapour pressure of the test item was calculated to be1.49E-50Pa at 25 °C (EPI Suite, 2014).

 

The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.

 

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

 

Description of the prediction Model

The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file. 

 

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.

Description of key information

According to column 2 of REACH Regulation 1907/2006 Annex VII, section 7.5, it is stated, that if the melting point is above 300°C a study is not required and if it is between 200°C and 300°C, a limit value based on a recognised calculation method is sufficient. Lithium acetate has a melting point that is in the range of 280 - 287°C. A vapour pressure of 2.59E-006 Pa at 25°C was calculated with the modified Grain method (EPISuite, v1.43).

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

As the available experimental methods allow a determination of vapour pressure down to 1E-5 Pa only, no meaningful experimental determination of the vapour pressure for lithium acetate is possible. Therefore, in accordance with the respective EU guideline no experimental determination of the vapour pressure for lithium acetate is required.