3-Chloro-5,5-dimethylcyclohex-2-enone

• Formula: C₈H₁₁ClO
• Molecular weight: 158.625
• IUPAC Standard InChI: InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: PJYTYJGMJDIKEJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 17530-69-7
• Chemical structure:
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• Other names: 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one; 5,5-Dimethyl-3-chloro-2-cyclohexen-1-one; 3-Chloro-5,5-dimethyl-2-cyclohexenone; 5,5-Dimethyl-3-chlorocyclohex-2-enone
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization 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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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.

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]

Pfister-Guillouzo, Geribaldi, et al., 1982
Pfister-Guillouzo, G.; Geribaldi, S.; Gal, J.-F., Spectres photoelectroniques de cyclohexene-2-ones-1 diversement substituees en position 3. Correlations avec la reactivite, Can. J. Chem., 1982, 60, 1163. [all data]

Notes

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

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