Benzene, (fluoromethyl)-

• Formula: C₇H₇F
• Molecular weight: 110.1289
• IUPAC Standard InChI: InChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 Copy

  
• IUPAC Standard InChIKey: MBXXQYJBFRRFCK-UHFFFAOYSA-N Copy
• CAS Registry Number: 350-50-5
• 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.
• Species with the same structure:
  • Toluene, α-fluoro-,
• Other names: Toluene, α-fluoro-; α-Fluorotoluene; (Fluoromethyl)benzene; Benzyl fluoride
• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Condensed phase thermochemistry data

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

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₇H₇F⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

Ion clustering data

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

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

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: F^- + C₇H₇F = (F^- • C₇H₇F)

References

Go To: Top, Condensed phase thermochemistry data, 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.

Schaffer, Verevkin, et al., 1997
Schaffer, F.; Verevkin, S.P.; Rieger, H.J.; Beckhaus, H.D.; Ruchardt, C., Enthalpies of formation of a series of fluorinated hydrocarbons and strain-free group increments to assess polar and anomeric stabilization and strain, Liebigs Ann., 1997, 1333-1344. [all data]

Peel and Von Nagy-Felsobuki, 1987
Peel, J.B.; Von Nagy-Felsobuki, E.I., The photoelectron spectra of the fluorotoluenes, J. Mol. Struct., 1987, 159, 195. [all data]

Yeo and Williams, 1970
Yeo, A.N.H.; Williams, D.H., Rearrangement in the molecular ions of halogenotoluenes prior to fragmentation in the mass spectrometer, Chem. Commun., 1970, 886. [all data]

Schmidt and Schweig, 1973
Schmidt, H.; Schweig, A., C-Hal hyperkonjugation, Tetrahedron Lett., 1973, 981. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  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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