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
View 3d structure (requires JavaScript / HTML 5) - 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, Gas phase ion energetics data, UV/Visible spectrum, 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 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, 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: 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 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry 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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | Davidson and French, 1960 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 1867 |
| Instrument | Unicam SP 500 |
| Melting point | 174 |
| Boiling point | 351; 142(3) |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, 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]
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]
Davidson and French, 1960
Davidson, J.M.; French, C.M.,
The synthesis and structure of aromatic boron compounds,
J. Chem. Soc., 1960, 191-195. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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