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Vapour pressure

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vapour pressure
Type of information:
Adequacy of study:
key study
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:
The QSAR Model Reporting Format (QMRF) and the corresponding QSAR Prediction Reporting Format (QPRF) are attached to this IUCLID record.
no guideline followed
Principles of method if other than guideline:
The model used (MPBPWIN v1.43 - EpiSuite) is scientifically valid (providing separate results based upon the Antoine, Grain, Modified Grain and Mackay methods) and is recommended for the regulatory endpoint by the ECHA guidance document R.7a: Endpoint specific guidance, Section R.
GLP compliance:
Type of method:
other: QSAR estimation (Modified Grain method)
Specific details on test material used for the study:
- Boiling point: 521.96 °C (predicted)
- Melting point: 87.5 °C (user-entered)
Key result
25 °C
Vapour pressure:
0.001 mm Hg
Remarks on result:
other: calculated (Modified-Grain Method)


The substance falls within the application domain of the model, but one atom was not parameterized in the training set of the boiling point prediction module. No structural analogues were identified.

Description of key information

Using MPBPWIN v1.43, the vapour pressure was estimated to be 0.000605 mm Hg (0.0807 Pa) by the Modified Grain Method.

Key value for chemical safety assessment

Vapour pressure:
0.081 Pa
at the temperature of:
25 °C

Additional information