Registration Dossier
Registration Dossier
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EC number: 203-881-1 | CAS number: 111-55-7
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- handbook data, no information is given on test method
- GLP compliance:
- not specified
- Type of method:
- other: measured
- Temp.:
- 25 °C
- Vapour pressure:
- 10.32 Pa
- 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
- Justification for type of information:
- 1. SOFTWARE
ARChem SPARC. version 4.5
2. MODEL
Properties - Vapor Pressure
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".
5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- 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
- Temp.:
- 20 °C
- Vapour pressure:
- 22.68 Pa
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
22.68 Pa at 20 °C (QSAR calculation with SPARC v4.5)
Key value for chemical safety assessment
- Vapour pressure:
- 22.68 Pa
- at the temperature of:
- 20 °C
Additional information
The values reported within literature are 10.32 Pa at 25 °C.
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.
