Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature

Data source

Reference
Reference Type:
other: EPA CompTox
Title:
EPA CompTox - Boiling Point
Bibliographic source:
https://comptox.epa.gov/dashboard/dsstoxdb/results?search=DTXSID0045967

Materials and methods

Results and discussion

Boiling pointopen allclose all
Boiling pt.:
691 °C
Remarks on result:
other: EPISUITE prediction
Remarks:
published on EPA CompTox
Boiling pt.:
313 °C
Remarks on result:
other: NICEATM prediction
Remarks:
published on EPA CompTox
Boiling pt.:
753 °C
Remarks on result:
other: ACD/Labs prediction
Remarks:
published on EPA CompTox
Boiling pt.:
372 °C
Remarks on result:
other: OPERA prediction
Remarks:
published on EPA CompTox
Boiling pt.:
553 °C
Remarks on result:
other: TEST
Remarks:
published on EPA CompTox

Applicant's summary and conclusion

Conclusions:
Boiling point value predictions as published on EPA CompTox fall in the range from 313 to 753°C.
The average boiling point value is 536°C.
The median boiling point value is 553°C.