9H-Xanthene

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Phase change data

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil584.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus373.7KN/ACoon, Sediawan, et al., 1988Uncertainty assigned by TRC = 0.1 K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
21.2423.AStephenson and Malanowski, 1987Based on data from 413. - 433. K. See also Cass, Fletcher, et al., 1958.; AC
15.4435.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
14.6475.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
14.1515.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
13.6555.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
13.0585.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
22.1329.TRordorf, 1986Based on data from 305. - 353. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
4.940374.6DSCMonte, Santos, et al., 2008AC
3.793374.3DSCMahmoud, Solimando, et al., 2000AC
4.59373.7N/AAcree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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

View reactions leading to C13H10O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
7.65 ± 0.02PEBouchoux and Dagaut, 1981

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C13H9O+11.2 ± 0.1HPEBouchoux and Dagaut, 1981 

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

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)

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: 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- 107
NIST MS number 228198

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 Davies, Kirkaldy, et al., 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. 342
Instrument n.i.g.
Melting point 100.5
Boiling point 311

References

Go To: Top, 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.

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]

Coon, Sediawan, et al., 1988
Coon, J.E.; Sediawan, W.B.; Auwaerter, J.E.; McLaughlin, E., Solubilities of families of heterocyclic polynuclear aromatics in organic solvents and their mixtures, J. Solution Chem., 1988, 17, 519. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., 281. Heats of combustion and molecular structure. Part V. The mean bond energy term for the C?O bond in ethers, and the structures of some cyclic ethers, J. Chem. Soc., 1958, 1406, https://doi.org/10.1039/jr9580001406 . [all data]

Sivaraman and Kobayashi, 1984
Sivaraman, Alwarappa; Kobayashi, Riki, Investigation of vapor pressures and enthalpies and entropies of vaporization of xanthene at elevated temperatures, J. Chem. Eng. Data, 1984, 29, 4, 375-379, https://doi.org/10.1021/je00038a003 . [all data]

Rordorf, 1986
Rordorf, Berchtold F., Thermal properties of dioxins, furans and related compounds, Chemosphere, 1986, 15, 9-12, 1325-1332, https://doi.org/10.1016/0045-6535(86)90407-8 . [all data]

Monte, Santos, et al., 2008
Monte, Manuel J.S.; Santos, Luis M.N.B.F.; Sousa, Carlos A.D.; Fulem, Michal, Vapor Pressures of Solid and Liquid Xanthene and Phenoxathiin from Effusion and Static Studies, J. Chem. Eng. Data, 2008, 53, 8, 1922-1926, https://doi.org/10.1021/je800333q . [all data]

Mahmoud, Solimando, et al., 2000
Mahmoud, R.; Solimando, R.; Bouroukba, M.; Rogalski, M., Solid-Liquid Equilibrium and Excess Enthalpy Measurements in Binary {Dibenzofuran or Xanthene + Normal Long-Chain Alkane} Systems, J. Chem. Eng. Data, 2000, 45, 3, 433-436, https://doi.org/10.1021/je9902084 . [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]

Bouchoux and Dagaut, 1981
Bouchoux, G.; Dagaut, J., Mechanisms of formation of [M-HCO]+ and [M-C6H5CO]+ ions from isomers of 1,4-benzodioxin derivatives, Org. Mass Spectrom., 1981, 16, 246. [all data]

Davies, Kirkaldy, et al., 1960
Davies, J.E.; Kirkaldy, D.; Roberts, J.C., Studies in mycological chemistry. Part VII. Sterigmatocystin, a metabolite of aspergillus versicolor (vuillemin) tiraboschi, J. Chem. Soc., 1960, 2169-2178. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References