2-Cyclopropen-1-one, 2,3-diphenyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas317.7 ± 8.2kJ/molCcrSteele, Gammon, et al., 1985 
Δfgas360. ± 20.kJ/molCphaGrabowski, Simon, et al., 1984 
Δfgas552.3kJ/molCcbHopkins, Bostwick, et al., 1976 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-7562. ± 20.kJ/molCcbGreenberg, Tomkins, et al., 1983Corresponding Δfliquid = 230.2 kJ/mol (simple calculation by NIST; no Washburn corrections)
Quantity Value Units Method Reference Comment
Δfsolid198.0 ± 2.0kJ/molCcrSteele, Gammon, et al., 1985 
Quantity Value Units Method Reference Comment
Δcsolid-7529.8 ± 1.8kJ/molCcrSteele, Gammon, et al., 1985Corresponding Δfsolid = 198.03 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-7742.9kJ/molCcbHopkins, Bostwick, et al., 1976Corresponding Δfsolid = 411. kJ/mol (simple calculation by NIST; no Washburn corrections)

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.56PEMuller, Schweig, et al., 1978Vertical value; LLK
8.47PEDehmlow, Dehmlow, et al., 1977Vertical value; LLK

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes

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

Steele, Gammon, et al., 1985
Steele, W.V.; Gammon, B.E.; Smith, N.K.; Chickos, J.S.; Greenberg, A.; Liebman, J.F., The standard molar enthalpy of formation of 2,3-diphenylcycloprop-2-en-1-one, J. Chem. Thermodyn., 1985, 17, 505-511. [all data]

Grabowski, Simon, et al., 1984
Grabowski, J.J.; Simon, J.D.; Peters, K.S., Heat of formation of diphenylcyclopropenone by photoacoustic calorimetry, J. Am. Chem. Soc., 1984, 106, 4615-4616. [all data]

Hopkins, Bostwick, et al., 1976
Hopkins, H.P., Jr.; Bostwick, D.; Alexander, C.J., The thermochemistry of diphenylcyclopropenone. Strain vs. delocalization energy, J. Am. Chem. Soc., 1976, 98, 1355-1357. [all data]

Greenberg, Tomkins, et al., 1983
Greenberg, A.; Tomkins, R.P.T.; Dobrovolny, M.; Liebman, J.F., The strain energy of diphenylcyclopropenone: A reexamination, J. Am. Chem. Soc., 1983, 105, 6855-6858. [all data]

Muller, Schweig, et al., 1978
Muller, C.; Schweig, A.; Vermeer, H., Photoelectron spectra of 1,2-diphenylcyclopropene, 2,3-diphenylcyclopropenone, 2,3-diphenylcyclopropenethione, 2,3-diphenylthiirene and 1-oxide; cis-stilbene, An experimental verification of conjugative inductive interactions, J. Am. Chem. Soc., 1978, 100, 8056. [all data]

Dehmlow, Dehmlow, et al., 1977
Dehmlow, E.V.; Dehmlow, S.S.; Marschner, F., Chemische und photoelektronenspektroskopische Eigenschaften von cyclopropylsubstituierten Cyclopropenonen, Chem. Ber., 1977, 110, 154. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References