Registration Dossier

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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:
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.

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