Oxirane, (chloromethyl)-

• Formula: C₃H₅ClO
• Molecular weight: 92.524
• IUPAC Standard InChI: InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2 Copy

  
• IUPAC Standard InChIKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-89-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • Oxirane, (chloromethyl)-
• Stereoisomers:
  • Oxirane, (chloromethyl)-, (R)-
  • (S)-(+)-Epichlorohydrin
• Other names: Propane, 1-chloro-2,3-epoxy-; α-Epichlorohydrin; γ-Chloropropylene oxide; (Chloromethyl)ethylene oxide; (Chloromethyl)oxirane; Chloropropylene oxide; Epichlorohydrin; Glycerol epichlorohydrin; Glycidyl chloride; SKEkhG; 1-Chloro-2,3-Epoxypropane; 1,2-Epoxy-3-chloropropane; 2-(Chloromethyl)oxirane; 2,3-Epoxypropyl chloride; 3-Chloro-1,2-epoxypropane; 3-Chloro-1,2-propylene oxide; 3-Chloropropene-1,2-oxide; 3-Chloropropylene oxide; (DL)-α-Epichlorohydrin; Epichlorhydrin; Epichloorhydrine; Epichlorhydrine; Epichlorohydryna; Epicloridrina; Glycerol epichlorhydrin; Oxirane, 2-(chloromethyl); 1-Chloor-2,3-epoxy-propaan; 1-Chlor-2,3-epoxy-propan; 1-Cloro-2,3-epossipropano; Epichlorophydrin; Rcra waste number U041; UN 2023; NSC 6747
• 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
• 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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

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.

Vorob'ev, Furlei, et al., 1989
Vorob'ev, A.S.; Furlei, I.I.; Sultanov, A.S.; Khvostenko, V.I.; Leplyanin, G.V.; Derzhinskii, A.R.; Tolstikov, G.A., Mass spectrometry of reasonance capture of electrons and photoelectron spectroscopy of molecules of ethylene oxide, ethylene sulfide, and their derivatives, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1989, 1388. [all data]

McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N., Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving σ orbitals, Can. J. Chem., 1977, 55, 318. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Wada and Kiser, 1962
Wada, Y.; Kiser, R.W., Electron impact spectroscopy of some substituted oxiranes, J. Phys. Chem., 1962, 66, 1652. [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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