4H-1-Benzopyran-4-one
- Formula: C9H6O2
- Molecular weight: 146.1427
- 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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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -35.49 ± 0.69 | kcal/mol | Ccb | Sabbah and El Watik, 1988 | Hfusion=17.31±0.19 kJ/mol |
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 |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 330.27 | K | N/A | Sabbah and Watik, 1988 | Uncertainty assigned by TRC = 0.04 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 20.7 ± 0.26 | kcal/mol | C | Matos, Sousa, et al., 2009 | AC |
ΔsubH° | 19.43 ± 0.038 | kcal/mol | C | Sabbah and El Watik, 1988 | Hfusion=17.31±0.19 kJ/mol; ALS |
ΔsubH° | 19.4 | kcal/mol | N/A | Sabbah and El Watik, 1988 | DRB |
ΔsubH° | 19.4 ± 0.05 | kcal/mol | C | Sabbah and Watik, 1988 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.429 | 298.15 | Sabbah and El Watik, 1988 | DH |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1372 | 330.27 | N/A | Sabbah and El Watik, 1988 | DH |
3.690 | 329.9 | DSC | Matos, Sousa, et al., 2009 | AC |
4.137 | 330.3 | N/A | Acree, 1991 | See also Domalski and Hearing, 1996.; 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.
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]
Sabbah and Watik, 1988
Sabbah, R.; Watik, L.E.,
Thermodynamic study of two simple molecules encountered as products of the pyrolysis of coal: chromone and xanthone,
Bull. Soc. Chim. Fr., 1988, 4, 626. [all data]
Matos, Sousa, et al., 2009
Matos, M. Agostinha R.; Sousa, Clara C.S.; Miranda, Margarida S.; Morais, Victor M.F.; Liebman, Joel F.,
Energetics of Coumarin and Chromone,
J. Phys. Chem. B, 2009, 113, 32, 11216-11221, https://doi.org/10.1021/jp9026942
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Ttriple Triple point temperature ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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