Benzonitrile, pentafluoro-

• Formula: C₇F₅N
• Molecular weight: 193.0736
• IUPAC Standard InChI: InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10 Copy

  
• IUPAC Standard InChIKey: YXWJGZQOGXGSSC-UHFFFAOYSA-N Copy
• CAS Registry Number: 773-82-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Pentafluorobenzonitrile; Perfluorobenzonitrile; 2,3,4,5,6-Pentafluorobenzonitrile; Pentafluorocyanobenzene; Cyanopentafluorobenzene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: Cl^- + C₇F₅N = (Cl^- • C₇F₅N)

 +  = ( • )

By formula: F^- + C₇F₅N = (F^- • C₇F₅N)

Free energy of reaction

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Notes

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

Chowdury, Grimsrud, et al., 1986
Chowdury, S.; Grimsrud, E.P.; Heinis, T.; Kebarle, P., Electron affinities of perfluorobenzene and perfluorophenyl compounds, J. Am. Chem. Soc., 1986, 108, 3630. [all data]

Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Mohraz, M., Decay of some substituted benzene cations in the B states in the gaseous phase, J. Chim. Phys., 1980, 77, 661. [all data]

Neijzen and DeLange, 1978
Neijzen, B.J.M.; DeLange, C.A., Photoelectron spectroscopy of mono-dicyanobenzenes their perfluoro derivatives, J. Electron Spectrosc. Relat. Phenom., 1978, 14, 187. [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A^-.B and A.B^- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A^- + B = A + B^- Involving Perfluoro Compounds: SF₆, C₆F₁₁CF₃, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

Dillow and Kebarle, 1988
Dillow, G.W.; Kebarle, P., Fluoride Affinities of Perfluorobenzenes C₆F₅X. Meisenheimer Complexes in the Gas Phase and Solution, J. Am. Chem. Soc., 1988, 110, 15, 4877, https://doi.org/10.1021/ja00223a001 . [all data]

Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S., A Determination of the Stability and Structure of F^-(C₆H₆) and F^-(C₆F₆) Clusters, J. Chem. Phys., 1987, 86, 7, 4102, https://doi.org/10.1063/1.451920 . [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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