Lithium chloride

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

According to REACH Regulation (EC) No 1907/2006, Annex XI, section 1.3, the used QSAR model needs to be scientifically validated and the substance has to fit in the applicability domain of the used model. EPI Suite v4.10 is a collection of physical/chemical property and environmental fate estimation models developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC). It is a screening level tool which gives adequate results for the purpose of classification and labelling and/or risk assessment. In addition, the used QSAR estimation tool is recommended by ECHA and can be found in Table R.7.1-21 in the REACH Guidance on information requirements and chemical safety assessment (2008), chapter R.7.1.7.3.. Thus, the calculated value is reliable with restrictions.

Qualifier:

according to guideline

Guideline:

other: QSAR Estimation with MPBPWIN v1.43

Deviations:

no

Principles of method if other than guideline:

Chapter 2 of Lyman (1985) describes the modified Grain method used by MPBPWIN. This method is a modification and significant improvement of the modified Watson method. It is applicable to solids, liquids and gases. The modified Grain method equations can be found in the publication. The KF structural factors are available in chapter 14 of Lyman et al (1990); the variation of this parameter is related to chemical class and is small (roughly 0.99 to 1.2), so large errors in its selection are unlikely (Lyman, 1985). The modified Grain method may be the best all-around VP estimation method currently available.

GLP compliance:

not specified

Type of method:

other: Modified Grain Method

Key result

Temp.:

25 °C

Vapour pressure:

0 Pa

Conclusions:

A vapour pressure of 4.2E-30 Pa was calculated for lithium chloride using EPI Suite v4.10.

Executive summary:

Lithium chloride is a solid at room temperature and normal atmospheric pressure. The boiling point is very high as it decomposes 1360°C. It can be assumed that the vapour pressure is nearly 0 Pa for lithium chloride at normal atmospheric conditions. The calculation of the vapour pressure of lithium chloride with EPI Suite v4.10 can be seen as estimation as no inorganic compounds were included in the training data set of the program. But taken into account the high boiling point this EPI Suite estimation can be regarded as adequate enough to be used for risk assessment.

The vapour pressure of lithium chloride was estimated using MPBPWIN v1.43 embedded in EPI Suite v4.10 of EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC). The program is a screening level tool and estimates the vapour pressure of chemicals using three separate methods. The modified Grain method was chosen as it may be the best vapour pressure estimation method currently available. A vapour pressure of 4.2E-30 Pa was derived for lithium chloride.

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 recognized calculation method is sufficient. Lithium chloride has a melting point that is in the range of 608 - 614 °C. A vapour pressure of 4.2E-30 Pa at 25 °C was calculated with the modified Grain method (EPISuite, v4.10, supporting study record).

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C