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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Boiling point

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
SOFTWARE : ACD/Labs Percepta Platform - PhysChem Module
It estimates the boiling point of organic compounds at specified pressure

SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : CAS 81653-77-2

Principles of method if other than guideline:
prediction using ACD/Labs Percepta Platform - PhysChem Module
GLP compliance:
no
Boiling pt.:
ca. 417 °C
Atm. press.:
ca. 760 mm Hg
Conclusions:
417.7±45.0 °C at 760 mmHg
Executive summary:

The boiling point was predicted to be 417.7±45.0 °C at 760 mmHg

Description of key information

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
417 °C

Additional information