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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).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
