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Physical & Chemical properties

Boiling point

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Administrative data

Link to relevant study record(s)

Description of key information

(Q)SAR: Adapted Stein and Brown Method:  203.85 °C at approximately 1013 hPa
Roempp Chemie Lexikon 9. Aufl. 96 °C at 0.13 kPa
MPBPVP (v1.43) Program Experimental Database: 112 °C at approximately 4 kPa (30mm Hg)
NTP (National Toxicology Program (NTP) of the U.S. Department of Health and Human Services: 180 °C at approximately 4kPa (0.039 atm)
IARC (International Agency for Research on Cancer): 112 °C data disregarded as no pressure reported

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
204 °C

Additional information

The calculation fulfills the following criteria of validity defined in the ECHA Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals:

  • "results are derived from a (Q)SAR model whose scientific validity has been established": Model developed for and checked by EPA
  • "the substance falls within the applicability domain of the (Q)SAR model": organic substance with calculated result falling within data of test set
  • "results are adequate for the purpose of classification and labelling and/or risk assessment, and
  • adequate and reliable documentation of the applied method is provided":Information is conclusive but does not indicate that the substance has to be classified in regard to the modelled parameter

As the data were diverging, the calculated value was assumed to be the most likely, because it is supported by the value of the extremely reliable Roempp Encyclopedia. It is in line with the MPBPVP (v1.43) Program Experimental Database value.