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Physical & Chemical properties

Vapour pressure

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Reference
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:
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

see QPRF/QMRF

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.

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.