Xanthone

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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.

Quantity Value Units Method Reference Comment
Δfgas-23.5 ± 0.86kcal/molCcbSabbah and El Watik, 1988Hfusion=26.12±0.24 kJ/mol; ALS
Δfgas-22.2kcal/molN/AKim, Winans, et al., 1978Value 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
Δfsolid-47.04 ± 0.86kcal/molCcbSabbah and El Watik, 1988Hfusion=26.12±0.24 kJ/mol; ALS
Δfsolid-45.77 ± 0.65kcal/molCcbKim, Winans, et al., 1978ALS
Quantity Value Units Method Reference Comment
Δcsolid-1448.9 ± 0.86kcal/molCcbSabbah and El Watik, 1988Hfusion=26.12±0.24 kJ/mol; Corresponding Δfsolid = -47.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-1450.2 ± 0.5kcal/molCcbKim, Winans, et al., 1978Corresponding Δfsolid = -45.77 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
54.0298.15Sabbah and El Watik, 1988DH

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
Δsub24.55 ± 0.55kcal/molCFreitas, Gomes, et al., 2009AC
Δsub23.56 ± 0.086kcal/molCSabbah and El Watik, 1988Hfusion=26.12±0.24 kJ/mol; ALS
Δsub23.6kcal/molN/ASabbah and El Watik, 1988DRB
Δsub23.56 ± 0.1kcal/molCSabbah and Watik, 1988AC
Δsub26.8 ± 1.5kcal/molEKim, Winans, et al., 1978ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
622.70.961Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
23.559298.15Sabbah and El Watik, 1988DH

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
6.2428449.63Sabbah and El Watik, 1988DH
6.243449.7Domalski and Hearing, 1996AC

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 ± 0.03PIPotapov and Sorokin, 1971

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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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-8148
NIST MS number 228197

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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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UVVis 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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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]

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

Go To: Top, 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