Benzene, 1,3-bis(trifluoromethyl)-

• Formula: C₈H₄F₆
• Molecular weight: 214.1078
• IUPAC Standard InChI: InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H Copy

  
• IUPAC Standard InChIKey: SJBBXFLOLUTGCW-UHFFFAOYSA-N Copy
• CAS Registry Number: 402-31-3
• Chemical structure:
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• Other names: m-Xylene, α,α,α,α',α',α'-hexafluoro-; α,α,α,α',α',α'-Hexafluoro-m-xylene; m-Bis(trifluoromethyl)benzene; 1,3-Bis(trifluoromethyl)benzene; 1,3-di(Trifluoromethyl)benzene; NSC 10342; ααα-α',α',α' -Hexafluoro-m-xylol; α,α,α,β,β,β-hexafluoro-m-xylene
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

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Individual Reactions

C₈H₃F₆^- +  =

By formula: C₈H₃F₆^- + H⁺ = C₈H₄F₆

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

De-protonation reactions

C₈H₃F₆^- +  =

By formula: C₈H₃F₆^- + H⁺ = C₈H₄F₆

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Schlosser, Mongin, et al., 1998
Schlosser, M.; Mongin, F.; Porwisiak, J.; Dmowski, W.; Buker, H.H.; Nibbering, N.M.M., Bis- and Oligo(trifluoromethyl)benzenes: Hydrogen/Metal Exchange Rates and Gas-Phase Acidities., Chem. Eur. J., 1998, 4, 7, 1281, https://doi.org/10.1002/(SICI)1521-3765(19980710)4:7<1281::AID-CHEM1281>3.0.CO;2-I . [all data]

Cabelli, Cowley, et al., 1982
Cabelli, D.E.; Cowley, A.H.; Lagowski, J.J., The bonding in some bis(arene)chromium compounds as indicated by U. V. photoelectron zpectroscopy, Inorg. Chim. Acta, 1982, 57, 195. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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