1-Adamantyl methyl ketone

• Formula: C₁₂H₁₈O
• Molecular weight: 178.2707
• IUPAC Standard InChI: InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3 Copy

  
• IUPAC Standard InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N Copy
• CAS Registry Number: 1660-04-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Acetyldamantane
• Other names: Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-; Ethanone, 1-tricyclo[3.3.1.13,7]dec-1-yl-; Ketone, 1-adamantyl methyl; 1-(1-Adamantyl)ethanone; 1-Acetyladamantane; Adamantyl methyl ketone; Methyl 1-adamantyl ketone; 1-Adamantan-1-yl-ethanone; Methyl adamantyl-1 ketone; 1-methyl adamantyl ketone; Adamantane, 1-acetyl; methyl tricyclo[3.3.1.13,7]dec-1-yl ketone
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase ion energetics data, Notes

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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Miller, Koch, et al., 1973
Miller, L.L.; Koch, V.R.; Koenig, T.; Tuttle, M., Photoelectron spectroscopy and the anodic fragmentation of adamantane derivatives, J. Am. Chem. Soc., 1973, 95, 5075. [all data]

Zauer and Takhistov, 1986
Zauer, O.A.; Takhistov, V.V., Heats of formation of 1-adamantyl cations in the gas phase, J. Org. Chem. USSR, 1986, 22, 601. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy

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