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EC number: 202-114-8 | CAS number: 91-99-6
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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 for cross-reference:
- reference to other study
- Reason / purpose for cross-reference:
- 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
- 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.
Reference
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.
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).
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