4H-1-Benzopyran-4-one
- Formula: C9H6O2
- Molecular weight: 146.1427
- IUPAC Standard InChI: InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
- IUPAC Standard InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N
- CAS Registry Number: 491-38-3
- 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: Chromone; Benzo-γ-pyrone; 4H-benzo[b]pyran-4-one
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Condensed 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -54.92 ± 0.69 | kcal/mol | Ccb | Sabbah and El Watik, 1988 | Hfusion=17.31±0.19 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -996.49 ± 0.69 | kcal/mol | Ccb | Sabbah and El Watik, 1988 | Hfusion=17.31±0.19 kJ/mol; Corresponding ΔfHºsolid = -54.92 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 42.26 | 298.15 | Sabbah and El Watik, 1988 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and El Watik, 1988
Sabbah, R.; El Watik, L.,
Thermodynamic study of two simple molecules encountered as products of the pyrolysis of coal: chromone and xanthone,
Bull. Soc. Chim. France, 1988, 626-630. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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