2-Butanone, 3-chloro-

• Formula: C₄H₇ClO
• Molecular weight: 106.551
• IUPAC Standard InChI: InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3 Copy

  
• IUPAC Standard InChIKey: OIMRLHCSLQUXLL-UHFFFAOYSA-N Copy
• CAS Registry Number: 4091-39-8
• 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: 3-Chloro-2-butanone; 3-Chlorobutanone; 1-Chloroethyl methyl ketone; 2-Chloro-3-butanone; 3-chlorobutan-2-one
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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: Sharon G. Lias and Joel F. Liebman

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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [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, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

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