Selenophene

• Formula: C₄H₄Se
• Molecular weight: 131.03
• IUPAC Standard InChI: InChI=1S/C4H4Se/c1-2-4-5-3-1/h1-4H Copy

  
• IUPAC Standard InChIKey: MABNMNVCOAICNO-UHFFFAOYSA-N Copy
• CAS Registry Number: 288-05-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Enthalpy of sublimation

Enthalpy of phase transition

Entropy of phase transition

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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

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

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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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.

Voronkov, Klyuchnikov, et al., 1989
Voronkov, M.G.; Klyuchnikov, V.A.; Kolabin, S.N.; Shvets, G.N.; Varushin, P.I.; Deryagina, E.N.; Korchevin, N.A.; Tsvetnitskaya, S.I., Thermochemical properties of dialkyl chalcogenides and dichalcogenides RMnR (M = sulfur, selenium, tellurium; n = 1, 2), Dokl. Akad. Nauk SSSR, Phys. Chem., 1989, 307, 5, 1139. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Milazzo and Paoloni, 1951
Milazzo, G.; Paoloni, L., Ann. Chim. (Rome), 1951, 41, 673. [all data]

Dworkin and Szwarc, 1991
Dworkin, A.; Szwarc, H., Thermodynamic evidence for stable and metastable phases in crystalline selenophene, C. R. l'Academie Sci., Ser. II Univers, 1991, 312(7), 701-704. [all data]

Reineck, Nohre, et al., 1983
Reineck, I.; Nohre, C.; Lodin, P.; Maripuu, R.; Lindberg, B.; Karlsson, L.; Siegbahn, K.; Hornfeldt, A.-B.; Gronowitz, S., Electronic and vibrational structure of 2-substituted selenophenes studied by He(I) photoelectron spectroscopy, Chem. Scr., 1983, 22, 209. [all data]

Bavia, Zauli, et al., 1975
Bavia, M.; Zauli, C.; Fusina, L., Rydberg states in selenophen, Mol. Phys., 1975, 30, 1289. [all data]

Aloisi, Santini, et al., 1975
Aloisi, G.; Santini, S.; Savelli, G., Molecular complexes of heteroaromatic five membered ring compounds with tetracyanoethylene. Charge transfer spectra, equilibrium constants and ionization potentials of the donors, J. Chem. Soc. Faraday Trans. 1, 1975, 70, 2045. [all data]

Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S., A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization, J. Chem. Soc. B, 1971, 1585. [all data]

Linda, Marino, et al., 1969
Linda, P.; Marino, G.; Pignataro, S., Ionization potentials and relative rates of electrophilic substitution in five-membered heteroaromatic rings, Ric. Sci., 1969, 39, 666. [all data]

Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S., Photoelectron spectra of the α-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies, J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]

Schafer, Schweig, et al., 1973
Schafer, W.; Schweig, A.; Gronowitz, S.; Taticchi, A.; Fringuelli, F., Reversal in the sequence of two highest occupied molecular orbitals in the series thiophen, selenophen, and tellurophen, J. Chem. Soc. Chem. Commun., 1973, 541. [all data]

Distefano, Pignataro, et al., 1973
Distefano, G.; Pignataro, S.; Innorta, G.; Fringuelli, F.; Marino, G.; Taticchi, A., Ionization energies of selenophen, tellurophen and some of their derivatives, Chem. Phys. Lett., 1973, 22, 132. [all data]

Churnaevskii, 1959
Churnaevskii, N.A., Optika i Spektrokopya (English translation), 1959, 6, 25. [all data]

Notes

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• Symbols used in this document:
  

  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔsubH	Enthalpy of sublimation
  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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