Ethanol, 2,2,2-trichloro-

• Formula: C₂H₃Cl₃O
• Molecular weight: 149.404
• IUPAC Standard InChI: InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2 Copy

  
• IUPAC Standard InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N Copy
• CAS Registry Number: 115-20-8
• 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: β,β,.beta-Trichloroethanol; (Hydroxymethyl)trichloromethane; Trichlorethanol; Trichloroethanol; 2,2,2-Trichloroethanol; 2,2,2-Trichloroethyl alcohol; CCl3CH2OH; Trichloroethyl alcohol; 2,2,2-Trichloro-1-ethanol; NSC 66407
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

Appearance energy determinations

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]

Koppel, Molder, et al., 1983
Koppel, I.A.; Molder, U.H.; Pikver, R.J., Photoelectron spectra of molecules. I. Alcohols, Org. React. Tartu, 1983, 20, 45. [all data]

Levitt and Levitt, 1970
Levitt, L.S.; Levitt, B.W., Evaluation of the basic ionization constants of water and alcohols from their ionization potentials, J. Phys. Chem., 1970, 74, 1812. [all data]

Holmes and Lossing, 1988
Holmes, J.L.; Lossing, F.P., Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals, J. Am. Chem. Soc., 1988, 110, 7343. [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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