Phenoxathiin

• Formula: C₁₂H₈OS
• Molecular weight: 200.256
• IUPAC Standard InChI: InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H Copy

  
• IUPAC Standard InChIKey: GJSGGHOYGKMUPT-UHFFFAOYSA-N Copy
• CAS Registry Number: 262-20-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Dibenzothioxin; Phenothioxin; Phenoxathiane; Phenoxathine; Phenoxthin; 1,4-Dibenzothioxine; Phenoxathrin; USAF DO-17; Dibenzooxathiane; NSC 464; RJC 03297
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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)
  • Gas Chromatography
  • References
  • Notes
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

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 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

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
• SOLID (OIL MULL); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution

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

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

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

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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.

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]

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]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Ttriple	Triple point temperature
  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
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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