Butane, 1-ethoxy-

• Formula: C₆H₁₄O
• Molecular weight: 102.1748
• IUPAC Standard InChI: InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: PZHIWRCQKBBTOW-UHFFFAOYSA-N Copy
• CAS Registry Number: 628-81-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Ether, butyl ethyl; Butyl ethyl ether; Ethyl butyl ether; Ethyl n-butyl ether; 1-Ethoxybutane; n-C4H9OC2H5; n-Butyl ethyl ether; Ether ethylbutylique; UN 1179
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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

Gas Phase Spectrum

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Additional Data

References

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

Audier, Bouchoux, et al., 1982
Audier, H.E.; Bouchoux, G.; Hoppilliard, Y.; Milliet, A., The mechanism of formation of [C₄H₉O]⁺ ions from isobutyl etyhyl ether, Org. Mass Spectrom., 1982, 17, 382. [all data]

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Bachiri, Mouvier, et al., 1980
Bachiri, M.; Mouvier, G.; Carlier, P.; Dubois, J.E., Evaluation quantitative des effets de substituants sur les premiers potentiels d'ionisation de composes monofonctionnels aliphatiques, J. Chim. Phys., 1980, 77, 899. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy

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