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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
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:
No experimental study is available. QSAR by EPI Suite (TM) 4.11/ module MPBPWIN v1.43 was used for an estimation of the vapour pressure of the substance from its melting and boiling point.

Justification: MPBPWIN is a well-known, widely used and commonly accepted screening tool.for the calculation of a vapour pressure.

The melting point was manualy entered (experimental value), The boiling point of the substance was calculated from its structural formula.
Reason / purpose:
reference to other study
Reason / purpose:
reference to other study
Qualifier:
no guideline followed
Principles of method if other than guideline:
The boiling point was calculated using the Adapted Stein and Brown method.
The vapour pressure at 25°C was calculated using the Antoine method, the Modified Grain method and the Mackay method.

GLP compliance:
no
Type of method:
other: modified Grain method
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: by the Modified Grain method
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: by the Antoine method
Temp.:
25 °C
Vapour pressure:
0.02 Pa
Remarks on result:
other: by the Mackay method

Calculated boiling point: 342.62°C

As the substance is a solid, the result of the Modified Grain method was selected for the vapour pressure of the substance. The modified Grain method is a modification of the modified Watson method.

Conclusions:
Using the modified Grain method (MPBPWIN v1.43 module in EPI Suite (TM) 4.11), the vapour pressure of the substance at 25°C was calculated to be 2.23E-4 Pa.

Description of key information

The vapour pressure of the substance at 25°C was calculated to be 2.23E-4 Pa.

Key value for chemical safety assessment

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

Additional information

Calculated using the modified Grain method (MPBPWIN v1.43 module in EPI Suite (TM) 4.11).