1,2,4-Trioxolane
- Formula: C2H4O3
- Molecular weight: 76.0514
- IUPAC Standard InChI: InChI=1S/C2H4O3/c1-3-2-5-4-1/h1-2H2
- IUPAC Standard InChIKey: RZYIPLSVRHWROD-UHFFFAOYSA-N
- CAS Registry Number: 289-14-5
- Chemical structure:
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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
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.196 | 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]. |
| 9.379 | 100. | ||
| 10.60 | 150. | ||
| 12.15 | 200. | ||
| 15.25 | 273.15 | ||
| 16.46 ± 0.96 | 298.15 | ||
| 16.55 | 300. | ||
| 21.44 | 400. | ||
| 25.772 | 500. | ||
| 29.314 | 600. | ||
| 32.189 | 700. | ||
| 34.543 | 800. | ||
| 36.494 | 900. | ||
| 38.124 | 1000. | ||
| 39.498 | 1100. | ||
| 40.662 | 1200. | ||
| 41.656 | 1300. | ||
| 42.505 | 1400. | ||
| 43.236 | 1500. |
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
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.32 | 281. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 289. K. See also Garvin and Schubert S.J., 1956. |
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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.1 | PE | Brown and Marcinko, 1978 | LLK |
| 10.67 ± 0.03 | PE | Brown and Marcinko, 1978 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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.
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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
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