1,3-Dioxol-2-one
- Formula: C3H2O3
- Molecular weight: 86.0462
- IUPAC Standard InChIKey: VAYTZRYEBVHVLE-UHFFFAOYSA-N
- CAS Registry Number: 872-36-6
- 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. - Other names: Vinylene carbonate; Carbonic acid, cyclic vinylene ester
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -418.61 | kJ/mol | Ccb | Choi and Joncich, 1971 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.58 | 200. | Durig J.R., 1970 | Entropy values obtained from statistical calculation by [ Joshi R.M., 1970] are 15-16 J/mol*K larger than selected ones. This discrepancy is due to using less reliable vibrational assignment by [ Joshi R.M., 1970].; GT |
69.02 | 273.15 | ||
74.63 | 298.15 | ||
75.05 | 300. | ||
95.09 | 400. | ||
110.73 | 500. | ||
122.66 | 600. | ||
131.86 | 700. | ||
139.15 | 800. | ||
145.05 | 900. | ||
149.86 | 1000. | ||
164.63 | 1500. | ||
171.57 | 2000. | ||
175.26 | 2500. | ||
177.47 | 3000. |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 41.3 ± 2.1 | kJ/mol | V | Choi and Joncich, 1971 | ALS |
ΔvapH° | 41.4 | kJ/mol | N/A | Choi and Joncich, 1971 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
46.9 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 350. K.; AC |
41.3 | 308. to 400. | MM | Choi and Joncich, 1971 | AC |
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 |
---|---|---|---|
10.08 | PE | Wittel, Astrup, et al., 1975 | Vertical value; LLK |
11.91 | PE | Bain and Frost, 1973 | 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.
Choi and Joncich, 1971
Choi, J.K.; Joncich, M.J.,
Heats of combustion, heats of formation and vapor pressures of some organic carbonates. Estimation of carbonate group contribution to heat of formation,
J. Chem. Eng. Data, 1971, 16, 87-90. [all data]
Durig J.R., 1970
Durig J.R.,
Vibrational spectra and structure of small ring compounds. XVII. Far infrared and matrix spectra of vinylene carbonate,
J. Mol. Struct., 1970, 5, 67-84. [all data]
Joshi R.M., 1970
Joshi R.M.,
Thermodynamic properties of some monomeric compounds in the standard ideal gas state,
J. Polym. Sci., Part A-2, 1970, 8, 679-687. [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]
Wittel, Astrup, et al., 1975
Wittel, K.; Astrup, E.E.; Bock, H.; Graeffe, G.; Juslen, H.,
Photoelectron spectra and molecular properties, XLVIII Carbonates thio- carbonates,
Z. Naturforsch. B:, 1975, 30, 862. [all data]
Bain and Frost, 1973
Bain, A.D.; Frost, D.C.,
Studies of the carbonyl group in some five-membered ring compounds by photoelectron spectroscopy,
Can. J. Chem., 1973, 51, 1245. [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 ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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