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EC number: 434-050-3 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- purity, expiration date are missing
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation of the vapour pressure based on calculated values for the boiling point with different methods.
- GLP compliance:
- no
- Type of method:
- other: calculated
- Specific details on test material used for the study:
- Appearance: light beige powder, with a characteristic odour.
- Key result
- Temp.:
- 298 K
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: calculated
- Conclusions:
- Based on the low calculated vapour pressure of 2.67 * 10^-6 Pa at 298 K, an experimentally test with the test substance does not need to be conducted.
- Endpoint:
- vapour pressure
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the melting point is above 300°C
- other:
Referenceopen allclose all
Based on the results of the melting point measurement (see section 4.2: k_Paulus_2002_melting point) a boiling point >360 °C (633 K) can be assumed with certainty, therefore, the methods of Banks and Sugden were not appropriate for the calculation.
Results of the boiling point and vapour pressure calculations
| method | calculated boiling point [K] | calculated pressure at 298 K [Pa] |
| Burnop | 694 | 2.88 * 10-06 |
Yalkowsky and Walters |
690 | 4.10 * 10-06 |
| Simamora and Yalkowsky | 700 | 1.69 * 10-06 |
| McGowan | 698 | 2.02 * 10-06 |
Description of key information
The calculated vapour pressure of the test item is <10-5 Pa (below the level of significance, demanded by the OECD guideline 104 (2006)).
Key value for chemical safety assessment
Additional information
Based on the low calculated vapour pressure of 2.67 * 10-6 Pa at 298 K (<10-5 Pa, below the level of significance, demanded by the OECD guideline 104, 2006), an experimentally test using the test substance does not need to be conducted. In addition, according to Regulation (EC) No 1907/2006, Annex VII, section 7.5, column 2, the study does not need to be conducted if the melting point is above 300 °C. The test substance decomposes in the range between 313 °C till 363 °C.
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