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Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Stein, S.E. and Brown, R.L. 1994. Estimation of normal boiling points from group contributions. J. Chem. Inf. Comput. Sci. 34: 581-7.
Specific details on test material used for the study:
SMILES:NCCOS(=O)(=O)O
Key result
Boiling pt.:
ca. 296.49 °C
Remarks on result:
other: QSAR predicted value

MPBPVP (v.1.43) predicted that the test item has a Boiling point = 296.49 ºC.

Conclusions:
The estimated boiling point is 296.49 ºC (EPI-Suite, MPBPVP v1.43).
Executive summary:

The estimated boiling point is 296.49ºC (EPI-Suite, MPBPVP v1.43).

Description of key information

Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated boiling point is 296.49 ºC (EPI-Suite, MPBPVP v1.43).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
296.49 °C

Additional information