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
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
• Options:
  • Switch to calorie-based units

Phase change data

Go To: Top, Gas phase ion energetics data, 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 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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Enthalpy of sublimation

Enthalpy of phase transition

Entropy of phase transition

Gas phase ion energetics data

Go To: Top, Phase change data, 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 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)

Go To: Top, Phase change data, Gas phase ion energetics data, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, 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.

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]

Notes

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

• 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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.