1,2,4-Trioxolane
- Formula: C2H4O3
- Molecular weight: 76.0514
- IUPAC Standard InChIKey: RZYIPLSVRHWROD-UHFFFAOYSA-N
- 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
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Gas phase thermochemistry data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, References, Notes
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
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.29 | 50. | Dorofeeva O.V., 1992 | p=1 bar. Selected Cp(T) values are in good agreement with those calculated by [ Kuhne H., 1976], while S(T) values are about 6 J/mol*K larger. This discrepancy is due to taking into account of optical isomers for C2 conformation by [ Dorofeeva O.V., 1992]. |
39.24 | 100. | ||
44.36 | 150. | ||
50.83 | 200. | ||
63.79 | 273.15 | ||
68.9 ± 4.0 | 298.15 | ||
69.23 | 300. | ||
89.72 | 400. | ||
107.83 | 500. | ||
122.65 | 600. | ||
134.68 | 700. | ||
144.53 | 800. | ||
152.69 | 900. | ||
159.51 | 1000. | ||
165.26 | 1100. | ||
170.13 | 1200. | ||
174.29 | 1300. | ||
177.84 | 1400. | ||
180.90 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
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
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
34.8 | 281. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 289. K. See also Garvin and Schubert S.J., 1956. |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
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
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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]
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
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, References
- 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.