3-Octanone

• Formula: C₈H₁₆O
• Molecular weight: 128.2120
• IUPAC Standard InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-68-3
• 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: n-Octanone-3; Amyl ethyl ketone; Ethyl amyl ketone; Ethyl n-amyl ketone; Ethyl pentyl ketone; EAK; Octan-3-one; Ethyl n-pentyl ketone; 3-Oxooctane; NSC 60161; 3-octanonere
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase 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: 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

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.

Geiseler and Ratzsch, 1965
Geiseler, V.G.; Ratzsch, M., Bildungsenthalpien stellungsisomerer n-Alkanderivate. 1. Mitteilung: Bildungsenthalpien des Octanals und der drei isomeren Octanone, Ber. Bunsen-Ges. Phys. Chem., 1965, 69, 485-488. [all data]

Yeo and Williams, 1969
Yeo, A.N.H.; Williams, D.H., Internal hydrogen rearrangement as a function of ion lifetime in the mass spectra of aliphatic ketones, J. Am. Chem. Soc., 1969, 91, 3582. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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