Registration Dossier
Registration Dossier
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EC number: 261-521-9 | CAS number: 58958-60-4
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:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation based on SPARC version v4.6, "Properties" calculation type
- Software tool(s) used including version: SPARC v4.6
- Model(s) used: Properties - Vapor Pressure (Pa)
The model utilizes a conventional LFER (Linear Free Energy Relationships), SAR (Structure Activity Relationships) and PMO (Perturbed Molecular Orbital) theory. For the complete method's description see field 'Any other information on materials and methods incl. tables'.
The datasets used for the model development (315 molecules) and for the external validation (747 molecules) are described in the field 'Any other information on materials and methods incl. tables'.
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'. - GLP compliance:
- no
- Type of method:
- other: QSAR
- Temp.:
- 20 °C
- Vapour pressure:
- >= 0 - <= 0 Pa
- Remarks on result:
- other: Range estimated based on QSAR calculations with the main constituents of the substance.
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
< 0.001 Pa at 20 °C (QSAR, ARChem SPARC. version 4.6)
Key value for chemical safety assessment
Additional information
The vapour pressure of the substance isooctadecyl pivalate (CAS 58958-60-4) was determined by QSAR, calculation with SPARC v4.6 for the main components of isooctadecyl pivalate. The result of 1.24E-04 - 9.43E-07 P at 20 °C indicates that the substance is non-volatile and the vapour pressure is estimated as < 0.001 Pa.
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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