Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2019
Reliability:
1 (reliable without restriction)
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
Qualifier:
no guideline required
Principles of method if other than guideline:
Experimental methods for the determination of the vapour pressure outlined in the OECD guildeline 104 cover vapour pressures in the range of 10-10 Pa to:105 Pa, and can therefore not be employed for Sopholiance. As recommended by the Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, Version 6.0, July 2017 for this case, the following limit values based on above QSAR calculations where retained:
Vapour pressure (20°C) < 10-20 Pa Vapour pressure (25°C) < 10-19 Pa Vapour pressure (50°C) < 10-19 Pa
GLP compliance:
no
Temp.:
20 °C
Vapour pressure:
>= 0 - <= 0 Pa
Remarks on result:
other: result for the main constituents
Conclusions:
The MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of the main constituents of Sopholiance, at temperatures of 20°C, 25°C and 50°C.
This software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure. These QSAR methods are proposed for this purpose in the Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, Version 6.0, July 2017, when testing is not possible. The software automatically selects the best applicable method(s), the Modified Grain method in the present case. The experimentally determined melting point of 101 °C was manually entered as a user entered parameter for calculation. The results for the main constituents were:
Vapour pressure (20°C) = 2.41.10E-22 Pa - 3.86-10E-21 Pa (Modified Grain method);
Vapour pressure (25°C) = 1.23.10E-21 Pa -1.87.10E-20 Pa (Modified Grain method);
Vapour pressure (50°C) = 1.89.10E-18 Pa - 2.26.10E-17 Pa (Modified Grain method);

Description of key information

The MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of the main constituents of Sopholiance, at temperatures of 20°C, 25°C and 50°C. The experimentally determined melting point of 101 °C was manually entered as a user entered parameter for calculation. The results for the main constituents were:


Vapour pressure (20°C) = 2.41.10-22 Pa - 3.86-10-21 Pa (Modified Grain method);


Vapour pressure (25°C) = 1.23.10-21 Pa -1.87.10-20 Pa (Modified Grain method);


Vapour pressure (50°C) = 1.89.10-18 Pa - 2.26-10-17 Pa (Modified Grain method);


 


The following limit values based on the QSAR calculations were retained as the key values:


Vapour pressure (20°C) < 10-20 Pa


Vapour pressure (25°C) < 10-19 Pa


Vapour pressure (50°C) < 10-16 Pa

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
20 °C

Additional information

Experimental methods for the determination of the vapour pressure outlined in the OECD guildeline 104 cover vapour pressures in the range of 10-10 Pa to:105 Pa, and can therefore not be employed for Sopholiance, which is an extremely non-volatile substance. QSAR methods are proposed in the Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, Version 6.0, July 2017, when testing is not possible. The MPBPWIN v1.43 software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure – all of which are cited in the ECHA guidance. The software automatically selects the best applicable method(s), the Modified Grain method in the present case.