Registration Dossier
Registration Dossier
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EC number: 208-589-8 | CAS number: 534-15-6
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- 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:
- Please refer to attached justification below.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR prediction
- GLP compliance:
- no
- Type of method:
- other: QSAR prediction
- Boiling pt.:
- 58.24 °C
- Remarks on result:
- other: QSAR - Adapted Stein & Brown method
- Boiling pt.:
- 64.5 °C
- Remarks on result:
- other: experimental value reported in outcome report of the prediction.
- Conclusions:
- Boiling point of 58.24°C is calculated by MPBVP v1.4.3 (EPI Suite v4.11; USEPA) by adapted Joback method.
Note that this endpoint is supported by experimental value of 64.5°C reported in outcome report of the prediction. - Executive summary:
Boiling point of 58.24°C is calculated by MPBVP v1.4.3 (EPI Suite v4.11; USEPA) by adapted Joback method.
Note that this endpoint is supported by experimental value of 64.5°C reported in outcome report of the prediction.
Reference
Description of key information
Boiling point of 58.24°C is calculated by MPBVP v1.4.3 (EPI Suite v4.11; USEPA) by adapted Joback method.
Note that this endpoint is supported by experimental value of 64.5°C reported in outcome report of the prediction.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 58.24 °C
Additional information
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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