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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: - | CAS number: -
Boiling point
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSPR estimation. Limitations in design and/or reporting but otherwise adequate for assessment.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The melting point of the substance has been predicted using EPISuite (MBPBWIN), SPARC and ACD/Labs models, well established model programmes, validated and mentioned in ECHA's endpoint specific technical guidance documents for the implementation of REACH. The structures of the relevant components of the substance were converted to SMILES notation using ACD/Labs ChemSketch software package and these were used as the input to the QSPR models.
- GLP compliance:
- no
- Type of method:
- other: QSPR estimate
Test material
- Test material form:
- not specified
- Details on test material:
- No data reported
Constituent 1
Results and discussion
Boiling point
- Boiling pt.:
- 529 - 832 °C
- Atm. press.:
- 101.3 kPa
- Decomposition:
- yes
- Decomp. temp.:
- 142 °C
- Remarks on result:
- other: Boiling point prediction is based on data from the MBPBWIN, SPARC and ACD/Lab models. Experimental data for melting point suggests the substance decomposes at 142°C and so would decompose before reaching its predicted boiling point.
Any other information on results incl. tables
See Assessment Report - Prediction of physico-chemical properties for further information on methods and results.
Applicant's summary and conclusion
- Conclusions:
- The data, based on output from the MBPBWIN, SPARC and ACD/Labs models, indicate that the substance has boiling point value in the range of 529 -832°C.
- Executive summary:
The boiling point of the substance has been predicted using EPISuite (MBPBWIN), SPARC and ACD/Labs models. These are well established model programmes, validated and mentioned in ECHA's endpoint specific technical guidance documents for the implementation of REACH. The structures of the relevant components of the substance were converted to SMILES notation using ACD/Labs ChemSketch software package and these were used as the input to the QSPR models. Based on the model outputs, the predicted boiling points fall within a range of 529 -832°C. Experimental data suggests that the substance decomposes at 142°C and therefore decomposes before reaching its predicted boiling point temperature. The boiling point values for the components of Diurea 8 suggest the substance is not volatile under ambient conditions.
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.
