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Phenoxathiin

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas125.8 ± 1.0kJ/molCcbSteele, Chirico, et al., 1993H2SO4(1:115)

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
Deltafsolid31.3 ± 1.7kJ/molCcbSteele, Chirico, et al., 1993H2SO4(1:115); ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6498.7 ± 1.4kJ/molCcbSteele, Chirico, et al., 1993H2SO4(1:115); ALS
Quantity Value Units Method Reference Comment
solid,1 bar222.66J/mol*KN/ASteele, Chirico, et al., 1993DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
213.77298.15Steele, Chirico, et al., 1993T = 5 to 700 K.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple328.770KN/ASteele, Chirico, et al., 1993, 2Uncertainty assigned by TRC = 0.002 K; TRC
Quantity Value Units Method Reference Comment
Deltavap77.3 ± 0.1kJ/molMEMonte, Santos, et al., 2008Based on data from 318. - 373. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
68.7400.EB,IPSteele, Chirico, et al., 1993Based on data from 365. - 640. K.; AC
66.440.EB,IPSteele, Chirico, et al., 1993Based on data from 365. - 640. K.; AC
63.4480.EB,IPSteele, Chirico, et al., 1993Based on data from 365. - 640. K.; AC
60.8520.EB,IPSteele, Chirico, et al., 1993Based on data from 365. - 640. K.; AC
58.560.EB,IPSteele, Chirico, et al., 1993Based on data from 365. - 640. K.; AC
55.1600.EB,IPSteele, Chirico, et al., 1993Based on data from 365. - 640. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
20.2666328.778N/ASteele, Chirico, et al., 1993DH
19.43329.6DSCMonte, Santos, et al., 2008AC
20.27328.8N/ASteele, Chirico, et al., 1993AC

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
7.85CTSHillebrand, Maior, et al., 1969RDSH
7.98 ± 0.03EINounou, 1966RDSH
7.6CTSKuboyama, 1964RDSH
7.72 ± 0.05PEColonna, Distefano, et al., 1978Vertical value; LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.


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-IW-1066
NIST MS number 240287

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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), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of thianthrene and phenoxathiin, J. Chem. Thermodyn., 1993, 25, 965-992. [all data]

Steele, Chirico, et al., 1993, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of thianthrene and phenoxathiin, J. Chem. Thermodyn., 1993, 25, 965-92. [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]

Hillebrand, Maior, et al., 1969
Hillebrand, M.; Maior, O.; Sahini, V.E.; Volanschi, E., Spectral study of some phenoxathiin derivatives and their positive ions, J. Chem. Soc. B, 1969, 755. [all data]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [all data]

Kuboyama, 1964
Kuboyama, A., Molecular complexes and their spectra. XVII.The iodine and the chloranil complexes with thianthrene analogs, J. Am. Chem. Soc., 1964, 86, 164. [all data]

Colonna, Distefano, et al., 1978
Colonna, F.P.; Distefano, G.; Galasso, V.; Irgolic, K.J.; King, C.E.; Pappalardo, G.C., The conformation, uv-absorption spectra and photoelectron spectra of phenoxachalcogenins, J. Organometal. Chem., 1978, 146, 235. [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), References