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EC number: 947-835-5 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
Vapour pressure <0.0001 Pa at 20 °C (QSAR, ARChem SPARC. version 4.6)
Key value for chemical safety assessment
Additional information
Explanation of the results
The following table summarizes the results obtained for the three representative components, by QSAR model presents in the SPARC software.
|
SU_1RU |
SU_3RU |
SU_4RU |
Vapour pressure [Pa] |
3.59E-20 |
5.5E-41 |
2.1E-50 |
Discussion
SPARC physical property models have been designed and parameterized to be applicable to any organic chemical structure. The vapour pressure model validation, performed on a dataset of 747 molecules, proved that the model can be used to provide reliable estimations. It is however not possible to perform a clear evaluation of the model’s applicability domain.
Esters of fatty acids and alcohol with high molecular weight and long carbon chains are usually low volatile molecules, associated with low vapour pressure.
Conclusion
Considering the results obtained from QSAR evaluation, the vapour pressure of the test substances is estimated to be < 0.0001 Pa.
Consideration on the different grades
The components of the UVCB substance are essentially composed by the same subunits: a "starting unit" and one or more "repeated unit". The two grades of the substance differ by the presence of "bigger" components in Grade Two.
As the vapour pressure of the smaller component is estimated to be < 0.0001 Pa, the final result is considered as valid for both grades.
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