1,2,4-Trioxolane

• Formula: C₂H₄O₃
• Molecular weight: 76.0514
• IUPAC Standard InChI: InChI=1S/C2H4O3/c1-3-2-5-4-1/h1-2H2 Copy

  
• IUPAC Standard InChIKey: RZYIPLSVRHWROD-UHFFFAOYSA-N Copy
• CAS Registry Number: 289-14-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

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 by: 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X

Additional references: Jacox, 1994, page 422; Jacox, 1998, page 367; Gillies and Kuczkowski, 1972; Kuczkowski, Gillies, et al., 1976; Mazur and Kuczkowski, 1977; Samuni and Haas, 1996

Notes

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Kuhne H., 1976
Kuhne H., Spectroscopic study of the ozone-ethylene reaction. Matrix-infrared spectra of three isotopic ethylene ozonides., J. Phys. Chem., 1976, 80, 1238-1247. [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]

Garvin and Schubert S.J., 1956
Garvin, David; Schubert S.J., The Vapor Phase Infrared Spectra Of The Ozonides Of Ethylene, Propylene And Isobutylent, J. Phys. Chem., 1956, 60, 6, 807-808, https://doi.org/10.1021/j150540a030 . [all data]

Brown and Marcinko, 1978
Brown, R.S.; Marcinko, R.W., Photoelectron spectra of the ozonides of ethylene, cyclopentene, and cyclohexene. Experimental evidence for the magnitude of the "pure" inductive effect of an ether oxygen on ionization energy, J. Am. Chem. Soc., 1978, 100, 5584. [all data]

Kuhne and Gunthard, 1976
Kuhne, H.; Gunthard, H.H., Spectroscopic study of the ozone-ethylene reaction. Matrix-infrared spectra of three isotopic ethylene ozonides, J. Phys. Chem., 1976, 80, 11, 1238, https://doi.org/10.1021/j100552a025 . [all data]

Hawkins, Kohlmiller, et al., 1982
Hawkins, M.; Kohlmiller, C.K.; Andrews, L., Matrix infrared spectra and photolysis and pyrolysis of isotopic secondary ozonides of ethylene, J. Phys. Chem., 1982, 86, 16, 3154, https://doi.org/10.1021/j100213a019 . [all data]

Sablinskas, Hegelund, et al., 2005
Sablinskas, V.; Hegelund, F.; Ceponkus, J.; Bariseviciute, R.; Aleksa, V.; Nelander, B., A High-Resolution FT-IR Study of the Fundamental Bands ν, J. Phys. Chem. A, 2005, 109, 39, 8719, https://doi.org/10.1021/jp051647e . [all data]

Kohlmiller and Andrews, 1981
Kohlmiller, C.K.; Andrews, L., Infrared spectrum of the primary ozonide of ethylene in solid xenon, J. Am. Chem. Soc., 1981, 103, 10, 2578, https://doi.org/10.1021/ja00400a016 . [all data]

Niki, Maker, et al., 1981
Niki, H.; Maker, P.D.; Savage, C.M.; Breitenbach, L.P., A FT IR study of a transitory product in the gas-phase ozone-ethylene reaction, J. Phys. Chem., 1981, 85, 8, 1024, https://doi.org/10.1021/j150608a020 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Gillies and Kuczkowski, 1972
Gillies, C.W.; Kuczkowski, R.L., J. Am. Chem. Soc., 1972, 94, 6337, 7609. [all data]

Kuczkowski, Gillies, et al., 1976
Kuczkowski, R.L.; Gillies, C.W.; Gallaher, K.L., Microwave spectrum and structure of ethylene ozonide: Effects of large axes rotations in structure calculations, J. Mol. Spectrosc., 1976, 60, 1-3, 361, https://doi.org/10.1016/0022-2852(76)90139-9 . [all data]

Mazur and Kuczkowski, 1977
Mazur, U.; Kuczkowski, R.L., Microwave spectrum and structure of ethylene ozonide-D4, J. Mol. Spectrosc., 1977, 65, 1, 84, https://doi.org/10.1016/0022-2852(77)90360-5 . [all data]

Samuni and Haas, 1996
Samuni, U.; Haas, Y., An ab-initio study of the normal modes of the primary and secondary ozonides of ethylene, Spectrochim. Acta A, 1996, 52, 11, 1479, https://doi.org/10.1016/0584-8539(96)01706-0 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,gas	Constant pressure heat capacity of gas
  ΔvapH	Enthalpy of vaporization

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