Registration Dossier
Registration Dossier
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EC number: 202-678-5 | CAS number: 98-53-3
Vapour pressure
Administrative data
- 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:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v 4.5, self interaction physical process models for estimation of saturated vapour pressure.
- GLP compliance:
- no
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- 4-tert-butylcyclohexanone
- EC Number:
- 202-678-5
- EC Name:
- 4-tert-butylcyclohexanone
- Cas Number:
- 98-53-3
- Molecular formula:
- C10H18O
- IUPAC Name:
- 4-tert-butylcyclohexan-1-one
- Details on test material:
- - Name of test material (as cited in study report): 4-tert-butylcyclohexanone
- Molecular formula: C10H18O1
- Molecular weight: 154.3 g/mole
- Smiles notation: O=C(CCC(C(C)(C)C)C1)C1
- Analytical purity: not applicable
Constituent 1
Results and discussion
Vapour pressureopen allclose all
- Temp.:
- 20 °C
- Vapour pressure:
- 7.91 Pa
- Temp.:
- 25 °C
- Vapour pressure:
- 13.52 Pa
Any other information on results incl. tables
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".
Applicant's summary and conclusion
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.
