Cyclobutadiene


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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.94950.Dorofeeva O.V., 1986 
8.035100.
8.726150.
10.24200.
13.40273.15
14.57 ± 0.60298.15
14.66300.
19.14400.
22.86500.
25.820600.
28.200700.
30.155800.
31.793900.
33.1811000.
34.3671100.
35.3851200.
36.2641300.
37.0221400.
37.6791500.

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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C4H4+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.16 ± 0.03PEKohn and Chen, 1993LL
9.55EILi and McGee, 1969RDSH
8.2EIHedaya, Miller, et al., 1969RDSH
8.5DERDewar and Worley, 1969RDSH
8.24PEKreile, Munzel, et al., 1986Vertical value; LBLHLM

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.

Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]

Kohn and Chen, 1993
Kohn, D.W.; Chen, P., Vibrational structure in the photoelectron spectrum of cyclobutadiene as a probe of structure, J. Am. Chem. Soc., 1993, 115, 2844. [all data]

Li and McGee, 1969
Li, P.H.; McGee, H.A., Jr., Mass spectrum and ionization potential of condensed cyclobutadiene, Chem. Commun., 1969, 592. [all data]

Hedaya, Miller, et al., 1969
Hedaya, E.; Miller, R.D.; McNeil, D.W.; D'Angelo, P.F.; Schissel, P., Flash vacuum pyrolysis. V. Cyclobutadiene, J. Am. Chem. Soc., 1969, 91, 1875. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Kreile, Munzel, et al., 1986
Kreile, J.; Munzel, N.; Schweig, A.; Specht, H., UV Photoelectron spectrum of cyclobutadiene. Free cyclobutadiene stable up to high temperatures, Chem. Phys. Lett., 1986, 124, 140. [all data]


Notes

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