Registration Dossier
Registration Dossier
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EC number: 609-065-5 | CAS number: 35117-05-6
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- EpiSuite 4.1.1.
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Justification for type of information:
- Estimated using a well-known software, EPISUITE
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- EpiSuite v4.1.1.
MPBPVP v1.43 - GLP compliance:
- no
- Type of method:
- other: calculation
- Remarks:
- Adapted Stein & Brown method
- Specific details on test material used for the study:
- CAS 35117-05-6
- Boiling pt.:
- 231.03 °C
- Atm. press.:
- 760 Torr
- Remarks on result:
- other: Calculation
- Remarks:
- EpiSuite v4.1.1
- Conclusions:
- Calculated boiling point is 231.03 oC ( MPBPVP v1.43, Adapted Stein & Brown method)
- Executive summary:
Calculated boiling point of CAS 35117-05-6 is 231.03 oC (MPBPVP v1.43, Adapted Stein & Brown method).
- Endpoint:
- boiling point
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- ACD Labs
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- ACD Labs, Software V11.02
- GLP compliance:
- no
- Type of method:
- other: calculation
- Remarks:
- calculation
- Specific details on test material used for the study:
- CAS 35117-05-6
- Boiling pt.:
- 238 °C
- Atm. press.:
- 760 Torr
- Remarks on result:
- other: calculation
- Remarks:
- ACD Labs, Software V11.02
- Conclusions:
- Calculated boiling point is 238.8+/-23.0 deg oC (ACD Labs, Software V11.02)
- Executive summary:
Calculated boiling point of CAS 35117-05-6 is 238 oC via calculation (ACD Labs, Software V11.02)
Referenceopen allclose all
Description of key information
Calculated boiling point of CAS 35117-05-6 at 760 Torr is 235 oC (average of 231.03 oC (from MPBPVP v1.43, Adapted Stein & Brown method) and 238 oC (from ACD Labs, Software V11.02)
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 235 °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.
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.
