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Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Remarks:

The vapour pressure of the major constituent of the substance was estimated with a QSAR-based tool that is well recognised and accepted by European authorities.

Justification for type of information:

1. SOFTWARE
US EPA Episuite modelling tool box (version 4.0, EPA 2009)

2. MODEL (incl. version number)
MPMBPVP v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
(confidential)

Principles of method if other than guideline:

QSAR modelling

GLP compliance:

no

Temp.:

25 °C

Vapour pressure:

< 0 Pa

Remarks on result:

other: Modelled vapour pressure

Conclusions:

The substance has negligible vapour pressure at ambient conditions.

Executive summary:

The vapour pressure of the substance was modelled with the MBBPVP Vapour Pressure Estimation tool, version 1.43, which is part of the US EPA Episuite modelling tool box (version 4.0, EPA 2009). The substance was characterised with a SMILES code, representing a substance with a side chain containing 13 Carbon atoms. The predicted vapour pressure at 25 °C was very low at 7.65 x 10E-10 Pa.

Reference 2

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

Experimental dates : August and September 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

no

Type of method:

effusion method: Knudsen cell

Temp.:

20 °C

Vapour pressure:

< 0.001 Pa

Remarks on result:

not determinable because of methodological limitations

The test item powder remained white after the assays. Then it is considered as non-degraded.

No mass loss was recorded during the assays. Therefore the vapour pressure could not be measured experimentally.

This minimal pressure that can be determined by the apparatus is 10-3 Pa. Then the vapor pressure of the test item was considered to be lower than 10-3 Pa at 40 °C and as a consequence lower than 10-3 Pa at 20 °C.

Also, considering the test item molar mass, the Knudsen effusion cell aperture size and the accuracy of the micro-balance (0.01 mg), assumption on the mass loss over time can be made, especially for the 40 °C assay which was performed over 60 hours, to estimate the vapor pressure, corresponding to a potential maximum VP of 3.9 × 10-4 Pa.

Conclusions:

Very low volatility (based on volatility bands criteria for occupational exposure (Chesar / ECETOC TRA), < 0.01 Pa).

Executive summary:

The vapour pressure of the test substance was too low to be experimentally measured.

The result is given as a limit value, corresponding to the lower VP that can be determined by the apparatus.

Description of key information

The substance has a very low vapour pressure (expected < 1 mPa at 20°C).

Key value for chemical safety assessment

Vapour pressure:

0.001 Pa

at the temperature of:

20 °C

Additional information

The vapour pressure of the major component of the substance was modelled with the MPBPVP Vapour Pressure Estimation tool of the Episuite modelling tool box (version 4.0, EPA 2009). The vapour pressure is very low at 7.65 x 10E-10 Pa.

As supporting information, the VP of an analogue, considered to be a worst-case (see RAAF document for details), was experimentally determined as < 10E-3 Pa at 20°C. This limit value will be retained, as considered more realistic for a liquid.

For purpose of CSA, the value without the "<" sign will be used.