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 Copy

  
• IUPAC Standard InChIKey: JNELGWHKGNBSMD-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Gas 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
DRB - Donald R. Burgess, Jr.

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

Constant pressure heat capacity of solid

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.

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of fusion

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

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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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]

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

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• 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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