2,4,6-Cycloheptatrien-1-one

• Formula: C₇H₆O
• Molecular weight: 106.1219
• IUPAC Standard InChI: InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H Copy

  
• IUPAC Standard InChIKey: QVWDCTQRORVHHT-UHFFFAOYSA-N Copy
• CAS Registry Number: 539-80-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Tropone; Cycloheptatrienone; Tropon; 2,4,6-Cycloheptatriene-1-one
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• Information on this page:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed 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

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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References

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Jackson, Hung, et al., 1971
Jackson, W.; Hung, T.S.; Hopkins, H.P., Jr., Delocalization energies of troponoids from bomb calorimetric and vapour pressure measurements, J. Chem. Thermodyn., 1971, 3, 347-353. [all data]

Timmons and Ciabattoni, 1967
Timmons, C.J.; Ciabattoni, J., UV atlas of organic compounds, 1967, 3, F3/2. [all data]

Dickschat J.S., Wagner-Dobler I., et al., 2005
Dickschat J.S.; Wagner-Dobler I.; Schulz S., The chafer pheromone buibuilactone and ant pyrazines are also produced by marine bacteria, J. Chem. Ecol., 2005, 31, 4, 925-947, https://doi.org/10.1007/s10886-005-3553-9 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References

• Symbols used in this document:
  

  ΔcH°liquid

  Enthalpy of combustion of liquid at standard conditions

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