Registration Dossier
Registration Dossier
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EC number: 306-621-6 | CAS number: 97338-28-8
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:
- accepted calculation method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: REACh Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v4.6, self interaction physical process models for estimation of saturated vapour pressure. Description of methodology is outlined in: Carreira, L. A., S. Hilal and S. W. Karickhoff, "Estimation of Chemical Reactivity Parameters and Physical Properties of Organic Molecules Using SPARC," (Book Chapter), Theoretical and Computational Chemistry, Quantitative Treatment of Solute/Solvent Interactions, Eds. P. Politzer and J. S. Murray, Elsevier Publishers, 1994.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Temp.:
- 20 °C
- Vapour pressure:
- < 0 Pa
Reference
QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
< 0.0001 Pa at 20 °C
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 20 °C
Additional information
The vapour pressure of the substance was determined by QSAR calculations with SPARC v4.6, performed for single components. The results of 9.79E-44 - 8.05E-22 Pa at 20 °C for the main constituents reported in section 1.2 indicate that the substance is non-volatile and the overall vapour pressure is estimated as < 0.0001 Pa.
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