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EC number: 241-698-9 | CAS number: 17696-62-7
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:
- 2018-04-06
- 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:
- QSAR prediction of the vapour pressure is considered sufficient because the test item is a solid which generally suggests low hazards arising from vapours.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using EpiSuite v4.11/MPBPVP v1.43.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation
- Specific details on test material used for the study:
- SMILES: Oc1ccc(cc1)C(=O)Oc1ccccc1
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.001 Pa
- Remarks on result:
- other: Modified Grain Method
- Conclusions:
- The vapour pressure of the test item was estimated by QSAR and is 1.09E-3 Pa at 25 °C.
- Executive summary:
The calculated vapour pressure of the test item is 1.09E-3 Pa. The substance is considered to be in the applicability domain of the model, and despite moderate model accuracy due to the usage of an estimated melting point and boiling point for vapour pressure prediction, MPBPVP methodology is considered adequate for a regulatory conclusion. Due to the very low vapour pressure no hazard arising from vapours is suggested for the test item.
Reference
see QPRF/QMRF
Description of key information
The calculated vapour pressure of the test item is 1.09E-3 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 0.001 Pa
- at the temperature of:
- 25 °C
Additional information
The substance is considered to be in the applicability domain of the model, and despite moderate model accuracy due to the usage of an estimated melting point and boiling point for vapour pressure prediction, MPBPVP methodology is considered adequate for a regulatory conclusion. Due to the very low vapour pressure no hazard arising from vapours is suggested for the test item.
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.
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