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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, Gas Chromatography, 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, Kenneth Kroenlein 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

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
88.7423.AStephenson and Malanowski, 1987Based on data from 413. - 433. K. See also Cass, Fletcher, et al., 1958.; AC
64.5435.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
61.1475.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
59.2515.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
56.7555.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC
54.4585.N/ASivaraman and Kobayashi, 1984Based on data from 424. - 589. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
92.5329.TRordorf, 1986Based on data from 305. - 353. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
20.67374.6DSCMonte, Santos, et al., 2008AC
15.87374.3DSCMahmoud, Solimando, et al., 2000AC
19.2373.7N/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

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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

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)

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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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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

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1150.1620.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2
CapillaryOV-1160.1628.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 «mu»m, N2

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-11645.8Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryOV-11659.8Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryDB-51661.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11599.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1627.Oda, Yasuhara, et al., 199825. m/0.25 mm/0.25 «mu»m, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C
CapillaryMethyl Silicone1635.Zenkevich, 1994Program: not specified

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5281.8Shao, Wang, et al., 200630. m/0.3 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
CapillaryDB-5279.1Durlak, Biswas, et al., 199830. m/0.25 mm/0.25 «mu»m, 15. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-5281.04Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52280.48Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

References

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

Zhang, Chen, et al., 1997
Zhang, M.; Chen, B.; Shen, S.; Chen, S., Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions, Fuel, 1997, 76, 5, 415-423, https://doi.org/10.1016/S0016-2361(97)85518-4 . [all data]

Zhang, Shen, et al., 2000
Zhang, M.-J.; Shen, S.-D.; Chen, S.-Y.; Sun, Y.-H., Analysis of heavy oil fractions in high-temperature coal tar by capillary gas chromatography/fourier transform infrared spectrometry, Chin. J. Chromatogr., 2000, 18, 3, 241-246. [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Oda, Yasuhara, et al., 1998
Oda, J.; Yasuhara, A.; Matsunaga, K.; Saito, Y., Identification of polycyclic aromatic hydrocarbons of the particulate accumulated in the tunnel duct of freeway and generation of their oxygenated derivatives, Jpn. J. Toxicol. Environ. Health, 1998, 44, 5, 334-351, https://doi.org/10.1248/jhs1956.44.334 . [all data]

Zenkevich, 1994
Zenkevich, I.G., Contemporary State of Informational Maintenance for Gas Chromatographic Identification of Chlorinated Polycyclic Aromatic Compounds, Zh. Ecol. Khim., 1994, 3, 2, 111-119. [all data]

Shao, Wang, et al., 2006
Shao, X.; Wang, G.; Sun, Y.; Zhang, R.; Xie, K.; Liu, H., Determination and Characterization of the Pyrolysis Products of Isoprocarb by GC-MS, J. Chromatogr. Sci., 2006, 44, 3, 141-147, https://doi.org/10.1093/chromsci/44.3.141 . [all data]

Durlak, Biswas, et al., 1998
Durlak, S.K.; Biswas, P.; Shi, J.; Bernhard, M.J., Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion, Environ. Sci. Technol., 1998, 32, 15, 2301-2307, https://doi.org/10.1021/es9709031 . [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]


Notes

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