Bicyclo[1.1.0]butane

• Formula: C₄H₆
• Molecular weight: 54.0904
• IUPAC Standard InChI: InChI=1S/C4H6/c1-3-2-4(1)3/h3-4H,1-2H2 Copy

  
• IUPAC Standard InChIKey: LASLVGACQUUOEB-UHFFFAOYSA-N Copy
• CAS Registry Number: 157-33-5
• Chemical structure:
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
• Data at other public NIST sites:
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  • Gas Phase Kinetics Database
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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 evaluated as indicated in comments:
L - Sharon G. Lias

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

View reactions leading to C₄H₆⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₄H₅^- +  =

By formula: C₄H₅^- + H⁺ = C₄H₆

Mass spectrum (electron ionization)

Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Bombach, Dannacher, et al., 1983
Bombach, R.; Dannacher, J.; Stadelmann, J.-P.; Neier, R., Fundamental aspects of ionic dissociations: The fragmentation pathways of excited bicyclobutane cations, Helv. Chim. Acta, 1983, 66, 701. [all data]

Kass and Chou, 1988
Kass, S.R.; Chou, P.K., The Bicyclobutyl Anion: An Alkyl Carbanion, J. Am. Chem. Soc., 1988, 110, 23, 7899, https://doi.org/10.1021/ja00231a063 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  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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