1,3-Dioxol-2-one
- Formula: C3H2O3
- Molecular weight: 86.0462
- IUPAC Standard InChI: InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
- 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
View 3d structure (requires JavaScript / HTML 5) - Other names: Vinylene carbonate; Carbonic acid, cyclic vinylene ester
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Gas phase thermochemistry data
Go To: Top, Condensed 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 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 | -100.05 | kcal/mol | Ccb | Choi and Joncich, 1971 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 12.57 | 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 |
| 16.50 | 273.15 | ||
| 17.84 | 298.15 | ||
| 17.94 | 300. | ||
| 22.73 | 400. | ||
| 26.465 | 500. | ||
| 29.316 | 600. | ||
| 31.515 | 700. | ||
| 33.258 | 800. | ||
| 34.668 | 900. | ||
| 35.817 | 1000. | ||
| 39.348 | 1500. | ||
| 41.006 | 2000. | ||
| 41.888 | 2500. | ||
| 42.416 | 3000. |
Condensed phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -109.9 ± 0.5 | kcal/mol | Ccb | Choi and Joncich, 1971 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -240.56 ± 0.50 | kcal/mol | Ccb | Choi and Joncich, 1971 | Corresponding ΔfHºliquid = -109.91 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 9.86 ± 0.50 | kcal/mol | V | Choi and Joncich, 1971 | ALS |
| ΔvapH° | 9.89 | kcal/mol | N/A | Choi and Joncich, 1971 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.2 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 350. K.; AC |
| 9.87 | 308. to 400. | MM | Choi and Joncich, 1971 | AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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