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EC number: 231-640-0 | CAS number: 7665-72-7
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:
- It is admitted in ECHA´s Guidance on Information Requirements and Chemical Safety Assessment, Chapter 7a: Endpoint specific guidance (July 2017) that "for substances which decompose during measurement or which are unstable or explosive, determination of the vapour pressure may not be technically possible." In addition, according to the guidance document, "QSAR approaches may be used if determination by experiment is not possible." In DSC measurements with the test item the decomposition energy of the exothermic effects was above the threshold of ~500 J/g, which would justify to exclude explosive properties on the basis of DSC measurements.
- 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 v 4.11/MPBPVP v 1.43
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Specific details on test material used for the study:
- Name: tert-Butyl glycidyl ether
SMILES: CC(C)(C)OCC1CO1 - Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 626 Pa
- Conclusions:
- The vapour pressure of the test item was estimated by QSAR and is 626 Pa at 25 °C.
- Executive summary:
The mean vapour pressure of tert-Butyl glycidyl ether calculated by Antoine and modified Grain methods at 25 °C is 626 Pa. The substance is considered to be in the applicability domain of the model, and because of good model accuracy based on an experimental boiling point, MPBPVP methodology is considered adequate for a regulatory conclusion.
- Endpoint:
- vapour pressure
- Type of information:
- other: Book
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- CAS No: 2426-08-6
- Temp.:
- 25 °C
- Vapour pressure:
- 3.2 mm Hg
- Conclusions:
- The vapour pressure of n-Butyl glycidyl ether at 25 °C is 3.2 mm Hg.
- Executive summary:
The vapour pressure of n-Butyl glycidyl ether at 25 °C is 3.2 mm Hg.
Referenceopen allclose all
Description of key information
The mean vapour pressure of tert-Butyl glycidyl ether calculated by Antoine and modified Grain methods at 25 °C is 626 Pa. The substance is considered to be in the applicability domain of the model, and because of good model accuracy based on an experimental boiling point, MPBPVP methodology is considered adequate for a regulatory conclusion. In addition, the applicability of the calculated vapour pressure of tert-Butyl glycidyl ether is supported by the vapour pressure of the suitable read-across partner n-Butyl glycidyl ether, which has a vapour pressure in the same magnitude (426.6 Pa = 3.2 mm Hg) .
Key value for chemical safety assessment
- Vapour pressure:
- 626 Pa
- at the temperature of:
- 25 °C
Additional information
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