Oxazole
- Formula: C3H3NO
- Molecular weight: 69.0620
- IUPAC Standard InChI: InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
- IUPAC Standard InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N
- CAS Registry Number: 288-42-6
- 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: 1,3-Oxazole
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Condensed phase thermochemistry data
Go To: Top, 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 | -48.03 ± 0.54 | kJ/mol | Ccb | McCormick and Hamilton, 1978 | see McCormick, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1561.3 ± 0.50 | kJ/mol | Ccb | McCormick and Hamilton, 1978 | see McCormick, 1977 |
Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 342.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 342.71 | K | N/A | Soulie, Bares, et al., 1975 | Uncertainty assigned by TRC = 0.2 K; calculated from Antoine eq. based on obs. vapor pressures; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 32.5 ± 0.1 | kJ/mol | C | McCormick and Hamilton, 1978 | see McCormick, 1977; ALS |
| ΔvapH° | 32.5 ± 0.1 | kJ/mol | C | McCormick and Hamilton, 1978 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 34.6 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 344. K.; AC |
References
Go To: Top, 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.
McCormick and Hamilton, 1978
McCormick, D.G.; Hamilton, W.S.,
The enthalpies of combustion and formation of oxazole and isoxazole,
J. Chem. Thermodyn., 1978, 10, 275-278. [all data]
McCormick, 1977
McCormick, D.G.,
The resonance energies of oxazole and isoxazole determined from the enthalpies of combustion and formation (Order No. 7801771),
Diss. Abstr. Int. B, 1977, 38, 4271. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Soulie, Bares, et al., 1975
Soulie, M.A.; Bares, D.; Metzger, J.,
Vapor Pressures of Some Azaaromatic Compounds,
C. R. Seances Acad. Sci., Ser. C, 1975, 281, 341. [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, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid 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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