Xanthone
- Formula: C13H8O2
- Molecular weight: 196.2014
- IUPAC Standard InChI: InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
- IUPAC Standard InChIKey: JNELGWHKGNBSMD-UHFFFAOYSA-N
- CAS Registry Number: 90-47-1
- 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: 9H-Xanthen-9-one; Xanthen-9-one; Benzophenone oxide; Dibenzo-γ-pyrone; Diphenylene ketone oxide; E 6; Genicide; Xanthene, 9-oxo-; 9-Oxoxanthene; 9H-Xanthene, 9-oxo-; 9-Xanthenone; Xanthenone; 9-Xanthone; NSC 14978; dibenzopyranone
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -98.2 ± 3.6 | kJ/mol | Ccb | Sabbah and El Watik, 1988 | Hfusion=26.12±0.24 kJ/mol; ALS |
| ΔfH°gas | -92.9 | kJ/mol | N/A | Kim, Winans, et al., 1978 | Value computed using ΔfHsolid° value of -191.5±2.7 kj/mol from Kim, Winans, et al., 1978 and ΔsubH° value of 98.6 kj/mol from Kim, Winans, et al., 1978.; DRB |
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 | -196.8 ± 3.6 | kJ/mol | Ccb | Sabbah and El Watik, 1988 | Hfusion=26.12±0.24 kJ/mol; ALS |
| ΔfH°solid | -191.5 ± 2.7 | kJ/mol | Ccb | Kim, Winans, et al., 1978 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6062.2 ± 3.6 | kJ/mol | Ccb | Sabbah and El Watik, 1988 | Hfusion=26.12±0.24 kJ/mol; Corresponding ΔfHºsolid = -196.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -6067. ± 2. | kJ/mol | Ccb | Kim, Winans, et al., 1978 | Corresponding ΔfHºsolid = -191.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 226. | 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:
BS - Robert L. Brown and Stephen E. Stein
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 |
|---|---|---|---|---|---|
| ΔsubH° | 102.7 ± 2.3 | kJ/mol | C | Freitas, Gomes, et al., 2009 | AC |
| ΔsubH° | 98.57 ± 0.36 | kJ/mol | C | Sabbah and El Watik, 1988 | Hfusion=26.12±0.24 kJ/mol; ALS |
| ΔsubH° | 98.6 | kJ/mol | N/A | Sabbah and El Watik, 1988 | DRB |
| ΔsubH° | 98.6 ± 0.4 | kJ/mol | C | Sabbah and Watik, 1988 | AC |
| ΔsubH° | 112. ± 6.3 | kJ/mol | E | Kim, Winans, et al., 1978 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 622.7 | 0.973 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 98.570 | 298.15 | Sabbah and El Watik, 1988 | DH |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 26.120 | 449.63 | Sabbah and El Watik, 1988 | DH |
| 26.12 | 449.7 | Domalski and Hearing, 1996 | AC |
Gas phase ion energetics 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.42 ± 0.03 | PI | Potapov and Sorokin, 1971 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Kim, Winans, et al., 1978
Kim, K.Y.; Winans, R.E.; Hubbard, W.N.; Johnson, C.E.,
Thermochemistry of coal components. 1. Xanthone,
J. Phys. Chem., 1978, 82, 402-405. [all data]
Freitas, Gomes, et al., 2009
Freitas, Vera L.S.; Gomes, José R.B.; Ribeiro da Silva, Maria D.M.C.,
Energetic studies of two oxygen heterocyclic compounds Xanthone and tetrahydro-«947»-pyrone,
J Therm Anal Calorim, 2009, 97, 3, 827-833, https://doi.org/10.1007/s10973-009-0233-y
. [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]
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]
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]
Potapov and Sorokin, 1971
Potapov, V.K.; Sorokin, V.V.,
Photoionization and ion-molecule reactions in quinones and alcohols,
High Energy Chem., 1971, 5, 435, In original 487. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point 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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