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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 205-528-7 | CAS number: 142-22-3
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 6 JUL 2021
- Reliability:
- 2 (reliable with restrictions)
- 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
- Justification for type of information:
- 1. SOFTWARE
EpiSuite v4.1; OECD QSAR Toolbox v4.4
2. MODEL (incl. version number)
MPBPVP v1.44
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C=CCOC(=O)OCCOCCOC(=O)OCC=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to attached QMRF
5. APPLICABILITY DOMAIN
please refer to attached QPRF - Guideline:
- other: REACH guidance on QSAR R.6, May 2008
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EpiSuite v4.1; OECD QSAR Toolbox v4.4
- Model(s) used: MPBPVP v1.44
- Model description: see field 'Justification for non-standard information', 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' - Type of method:
- other: estimated by calculation
- Specific details on test material used for the study:
- C=CCOC(=O)OCCOCCOC(=O)OCC=C
- Temp.:
- 25 °C
- Vapour pressure:
- 0.009 Pa
- Remarks on result:
- other: estimated by calculation (using the Modified Grain Method of MPBPWIN 1.44)
- Conclusions:
- The vapour pressure was estimated to be 0.00861 Pa at 25°C using the Modified Grain Method of MPBPWIN 1.44.
- Executive summary:
The vapour pressure was estimated using the MPBPWIN programme (v1.44 - EpiSuite v4.11). The calculation was done by the Antoine, Modified Grain, and Mackay methods, with the Modified Grain Method preferentially adopted. The vapour pressure was estimated to be 0.00861 Pa (at 25°C).
Reference
Description of key information
The vapour pressure was estimated using the MPBPWIN programme (v1.44 - EpiSuite v4.11). The calculation was done by the Antoine, Modified Grain, and Mackay methods, with the Modified Grain Method preferentially adopted. The vapour pressure was estimated to be 0.00861 Pa (at 25°C).
Key value for chemical safety assessment
- Vapour pressure:
- 0.009 Pa
- at the temperature of:
- 25 °C
Additional information
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.
