Isopropyl radical

• Formula: C₃H₇
• Molecular weight: 43.0877
• IUPAC Standard InChI: InChI=1S/C3H7/c1-3-2/h3H,1-2H3 Copy

  
• IUPAC Standard InChIKey: HNUALPPJLMYHDK-UHFFFAOYSA-N Copy
• CAS Registry Number: 2025-55-0
• 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.
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Ion clustering data
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  • Gas Phase Kinetics Database
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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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = ( • )

By formula: Cr⁺ + C₃H₇ = (Cr⁺ • C₃H₇)

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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
B - John E. Bartmess

View reactions leading to C₃H₇⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   3d

State:   3p

State:   3s

State:   X

Additional references: Jacox, 1994, page 383

Notes

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

Fisher and Armentrout, 1992
Fisher, E.R.; Armentrout, P.B., Activation of Alkanes by Cr+: Unique Reactivity of Ground-State Cr+(6S) and Thermochemistry of Neutral and Ionic Chromium-Carbon Bonds, J. Am. Chem. Soc., 1992, 114, 6, 2039, https://doi.org/10.1021/ja00032a017 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Dyke, Ellis, et al., 1985
Dyke, J.; Ellis, A.; Jonathan, N.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 18. The cyclopropyl, isopropyl, an n-propyl radicals, J. Chem. Soc. Faraday Trans. 2, 1985, 81, 1573. [all data]

Houle and Beauchamp, 1979
Houle, F.A.; Beauchamp, J.L., Photoelectron spectroscopy of methyl, ethyl, isopropyl, and tert-butyl radicals. Implications for the thermochemistry and structures of the radicals and their corresponding carbonium ions, J. Am. Chem. Soc., 1979, 101, 4067. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Lossing and Semeluk, 1970
Lossing, F.P.; Semeluk, G.P., Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C₁-C₄ alkyl radicals, Can. J. Chem., 1970, 48, 955. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Melton and Hamill, 1964
Melton, C.E.; Hamill, W.H., Ionization potentials of alkyl free radicals and of benzene, toluene, and triethylamine by the RPD technique, J. Chem. Phys., 1964, 41, 3464. [all data]

Elder, Giese, et al., 1962
Elder, F.A.; Giese, C.; Steiner, B.; Inghram, M., Photo-ionization of alkyl free radicals, J. Chem. Phys., 1962, 36, 3292. [all data]

Wendt and Hunziker, 1984
Wendt, H.R.; Hunziker, H.E., The UV spectra of primary, secondary, and tertiary alkyl radicals, J. Chem. Phys., 1984, 81, 2, 717, https://doi.org/10.1063/1.447755 . [all data]

Parkes and Quinn, 1976
Parkes, D.A.; Quinn, C.P., J. Chem. Soc., 1976, Faraday Trans. 1 72, 1952. [all data]

Pacansky and Coufal, 1980
Pacansky, J.; Coufal, H., The photochemistry and infrared spectrum of the isopropyl radical, J. Chem. Phys., 1980, 72, 5, 3298, https://doi.org/10.1063/1.439566 . [all data]

Chettur and Snelson, 1987
Chettur, G.; Snelson, A., Alkylperoxy and alkyl radicals. 3. Infrared spectra and ultraviolet photolysis of isopropylperoxy and isopropyl radicals in argon + oxygen matrixes, J. Phys. Chem., 1987, 91, 4, 913, https://doi.org/10.1021/j100288a030 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  EA	Electron affinity
  ΔfH(+) ion,0K	Enthalpy of formation of positive ion at 0K
  ΔrH°	Enthalpy of reaction at standard conditions

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