1-Propene, 1-chloro-

• Formula: C₃H₅Cl
• Molecular weight: 76.525
• IUPAC Standard InChI: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3 Copy

  
• IUPAC Standard InChIKey: OWXJKYNZGFSVRC-UHFFFAOYSA-N Copy
• CAS Registry Number: 590-21-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 1-Propene, 1-chloro-, (Z)-
  • trans-1-Chloropropene
• Other names: Propene, 1-chloro-; Propenyl chloride; 1-Chloro-1-propene; 1-Chloropropene; CH3CH=CHCl; 1-Chloropropylene; NSC 6155; Propene, 1-chloro- (about 83% cis); Propene, 1-chloro- (about 90% trans)
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas 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

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, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

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.

Alfassi, Golden, et al., 1973
Alfassi, Z.B.; Golden, D.M.; Benson, S.W., The thermochemistry of the isomerization of 3-halopropenes (allyl halides) to 1-halopropenes; entropy and enthalpy of formation contribution of the C_d-(H)(X) group, J. Chem. Thermodyn., 1973, 5, 411-420. [all data]

Mommers, Burgers, et al., 1984
Mommers, A.A.; Burgers, P.C.; Holmes, J.L.; Terlouw, J.K., Isomeric [C₃H₄]⁺ ions: Their identification and generation in dissociative ionizations, Org. Mass Spectrom., 1984, 19, 7. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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