Lithium fluoride

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the melting point is above 300°C

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: REACH guidance on QSARS R.6

Deviations:

no

Principles of method if other than guideline:

Estimation of vapour pressure using MPBPwin v1.43 as part of EPISuite

GLP compliance:

no

Type of method:

other: Calculation

Specific details on test material used for the study:

SMILES: F[Li]

Key result

Temp.:

25 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: QSAR predicted value: The substance is not within the applicability domain of the model.

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: QSAR predicted value: The substance is not within the applicability domain of the model.

Vapor Pressure Estimations (25 deg C):

(Using BP: 1681.00 deg C (user entered))

(Using MP: 848.00 deg C (user entered))

VP: 0 mm Hg (Antoine Method)

: 0 Pa (Antoine Method)

VP: 1.12E-052 mm Hg (Modified Grain Method)

: 0 Pa (Modified Grain Method)

VP: 3.1E-050 mm Hg (Mackay Method)

: 0 Pa (Mackay Method)

Selected VP: 0 mm Hg (Modified Grain Method)

: 0 Pa (Modified Grain Method)

Subcooled liquid VP: 7.2E-042 mm Hg (25 deg C, Mod-Grain method)

: 9.6E-040 Pa (25 deg C, Mod-Grain method)

Conclusions:

Using MPBPWIN v1.43 the vapour pressure of the test item was calculated to be 1.49E-50 Pa at 25 °C. The substance is not within the applicability domain of the model. Thus the estimation may be less accurate.

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 be 1.49E-50 Pa 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

In accordance with column 2 of REACH Annex VII, the vapour pressure study does not need to be conducted as the melting point is above 300 °C. Lithium fluoride has a melting point of 848 °C, therefore a study is not required. Additionally, the vapour pressure of lithium fluoride was calculated by means of the program MPBPWIN (EPIsuite, v1.43). Vapour pressure of lithium fluoride was estimated to be 1.49E-50 Pa at 25 °C using the modified Grain method.

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 fluoride is possible. Therefore, in accordance with the respective EU guideline no experimental determination of the vapour pressure for lithium fluoride is required.