Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 211-067-2 | CAS number: 629-03-8
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: ECHA (2008) Guidance on information requirements and chemical safety assessment, Chapter R.7a: Endpoint specific guidance, pp.1-428, at p.70 states: "It is recommended that SPARC be used for the calculation of vapour pressure.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Software freely available at http://ibmlc2.chem.uga.edu/sparc
- Title:
- SPARC Performs Automated Reasoning in Chemistry, v4.6
- Author:
- SPARC
- Year:
- 2 007
- Bibliographic source:
- University of Georgia, USA
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Hilal SH, Carreira LA and Karickhoff SW (2003) "Prediction of the vapour pressure, Boiling point, Heat of vaporization and diffusion coefficient of organic compounds" QSAR & Combinatorial science, Vol. 22, pp. 565-574.
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,6-dibromohexane
- EC Number:
- 211-067-2
- EC Name:
- 1,6-dibromohexane
- Cas Number:
- 629-03-8
- Molecular formula:
- C6H12Br2
- IUPAC Name:
- 1,6-dibromohexane
- Details on test material:
- SMILES Notation: BrCCCCCCBr
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 6.09 Pa
- Remarks on result:
- other: SPARC modelling
Applicant's summary and conclusion
- Conclusions:
- Based on SPARC modelling (model supported by ECHA), the vapour pressure of 1,6-dibromohexane is 6.09 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.
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