Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 614-590-8 | CAS number: 68552-19-2
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
<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 five representative components, by QSAR model presents in the SPARC software.
|
C36dimers_2EH |
2EH-C36FA-NPG-C36FA-2EH |
C54trimers_2EH |
C18:1_2EH |
C18:1_NPG |
Vapour pressure [Pa] |
2.59E-20 |
5.51E-40 |
1.92E-34 |
2.44E-07 |
9.39E-08 |
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, a vapour pressure < 0.0001 Pa can be considered as a reasonable estimation for the substance.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
