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EC number: 211-734-8 | CAS number: 692-86-4
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:
- other: Accepted calculation method
- Justification for type of information:
- 1. SOFTWARE: SPARC
2. MODEL (incl. version number): SPARC v. 4.6
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: calculated for representative constituents as defined in section 1.2
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment] - Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Temp.:
- 20 °C
- Vapour pressure:
- 0.73 Pa
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data from handbook or collection of data.
- Principles of method if other than guideline:
- NEELY,WB & BLAU,GE (1985)
- GLP compliance:
- not specified
- Remarks:
- No more details available, data from collection of data.
- Type of method:
- other: estimated
- Temp.:
- 25 °C
- Vapour pressure:
- 0.013 mm Hg
Referenceopen allclose all
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
0.73 Pa at 20 °C
Key value for chemical safety assessment
- Vapour pressure:
- 0.73 Pa
- at the temperature of:
- 20 °C
Additional information
The vapour pressure of the substance ethyl undecylenate (CAS 692-86-4) was determined by QSAR calculations with SPARC (v 4.6). The vapor pressure 0.0125 mmHg at 25 °C is supporting.
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.
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