1-Butyl radical

• Formula: C₄H₉
• Molecular weight: 57.1143
• IUPAC Standard InChI: InChI=1S/C4H9/c1-3-4-2/h1,3-4H2,2H3 Copy

  
• IUPAC Standard InChIKey: WPWHSFAFEBZWBB-UHFFFAOYSA-N Copy
• CAS Registry Number: 2492-36-6
• Chemical structure:
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₄H₉⁺ (ion structure unspecified)

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:   X

Additional references: Jacox, 1994, page 384; Jacox, 1998, page 344

Notes

References

Go To: Top, 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.

Schultz, Houle, et al., 1984
Schultz, J.C.; Houle, F.A.; Beauchamp, J.L., Photoelectron spectroscopy of 1-propyl, 1-butyl, isobutyl, neopentyl and 2-butyl radicals: Free radical precursors to high energy carbonium ion isomers, J. Am. Chem. Soc., 1984, 106, 3917. [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]

Melton and Joy, 1967
Melton, C.E.; Joy, H.W., Mass-spectrometric and theoretical evidence for NH₄ and H₃O, J. Chem. Phys., 1967, 46, 4275. [all data]

Pacansky, Horne, et al., 1977
Pacansky, J.; Horne, D.E.; Gardini, G.P.; Bargon, J., Matrix isolation studies of alkyl radicals. The characteristic infrared spectra of primary alkyl radicals, J. Phys. Chem., 1977, 81, 23, 2149, https://doi.org/10.1021/j100538a003 . [all data]

Pacansky and Gutierrez, 1983
Pacansky, J.; Gutierrez, A., Infrared spectra of the n-butyl and n-pentyl radicals, J. Phys. Chem., 1983, 87, 16, 3074, https://doi.org/10.1021/j100239a023 . [all data]

Pacansky, Waltman, et al., 1996
Pacansky, J.; Waltman, R.J.; Barnes, L.A., Studies on the Vibrational Frequencies and Intensities of Primary Alkyl Radicals, CH, J. Phys. Chem., 1996, 100, 42, 16828, https://doi.org/10.1021/jp961679p . [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]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Notes

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