Quinoxaline
- Formula: C8H6N2
- Molecular weight: 130.1466
- IUPAC Standard InChI: InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
- IUPAC Standard InChIKey: XSCHRSMBECNVNS-UHFFFAOYSA-N
- CAS Registry Number: 91-19-0
- 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: Benzoparadiazine; Benzopyrazine; Benzo[a]pyrazine; Phenopiazine; Phenpiazine; Quinazine; 1,4-Benzodiazine; 1,4-Diazanaphthalene; 1,4-Naphthyridine; USAF EK-7094
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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°solid | 173.7 ± 2.6 | kJ/mol | Ccb | Ribeiro da Silva and Matos, 1995 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -4179.3 ± 2.4 | kJ/mol | Ccb | Ribeiro da Silva and Matos, 1995 |
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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 494.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 502.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 306. | K | N/A | Sabbah and Pemenzi, 1993 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 66.6 ± 2.0 | kJ/mol | C | Ribeiro da Silva and Matos, 1995 | ALS |
| ΔsubH° | 66.6 | kJ/mol | N/A | Ribeiro da Silva and Matos, 1995 | DRB |
| ΔsubH° | 66.6 ± 2.0 | kJ/mol | C | da Silva, Matos, et al., 1995 | AC |
| ΔsubH° | 69.4 ± 0.6 | kJ/mol | C | Sabbah and Pemenzi, 1993 | AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 69.390 | 298.15 | Sabbah and Pemenzi, 1993, 2 | DH |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 11.8 | 305.7 | Sabbah and Pemenzi, 1993 | AC |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 305.68 | crystaline | liquid | Sabbah and Pemenzi, 1993, 2 | DH |
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.
Ribeiro da Silva and Matos, 1995
Ribeiro da Silva, M.A.V.; Matos, M.A.R.,
Thermochemical and theoretical studies of some benzodiazines,
J. Chem. Soc. Faraday Trans., 1995, 91, 1907-1910. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Sabbah and Pemenzi, 1993
Sabbah, R.; Pemenzi, O.,
Energetics of intermolecular bonds in the three diazines: phthalazine, quinazoline and quinoxaline,
C. R. Acad. Sci. Paris, Ser. II, 1993, 317, 5, 575. [all data]
da Silva, Matos, et al., 1995
da Silva, Manuel A.V. Ribeiro; Matos, M. Agostinha R.; Morais, Victor M.F.,
Thermochemical and theoretical studies of some benzodiazines,
Faraday Trans., 1995, 91, 13, 1907, https://doi.org/10.1039/ft9959101907
. [all data]
Sabbah and Pemenzi, 1993, 2
Sabbah, R.; Pemenzi, O.,
Energetique des liaisons intermoleculaires dans les molecules de phthalazine, quinazoline, and quinoxaline, Compt. Rend. Acad. Sci. Paris,
Series II, 1993, 317, 575-581. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttrs Temperature of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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