1,2-Propadiene-1,3-dione


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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-29.03 ± 0.24kcal/molCcrKybett, Johnson, et al., 1965 
Quantity Value Units Method Reference Comment
Δcliquid-253.13kcal/molCcrKybett, Johnson, et al., 1965Corresponding Δfliquid = -29.02 kcal/mol (simple calculation by NIST; no Washburn corrections)

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
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.85 ± 0.15LPESOakes and Ellison, 1986B

Ionization energy determinations

IE (eV) Method Reference Comment
10.605PERabalais, Bergmark, et al., 1972LLK
10.60PEBaker and Turner, 1968RDSH
10.60 ± 0.03PIKim and Roebber, 1966RDSH
10.60SKim and Roebber, 1966RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+18.7 ± 0.32COEIBotter, 1963RDSH
CO+20.1 ± 0.3?EIBotter, 1963RDSH
C2+24.5 ± 0.7?EIBotter, 1963RDSH
C2O+14.7 ± 0.1COEIChen and Holmes, 1994LL
C2O+14.48 ± 0.05COEIChen and Holmes, 1994LL
C2O+15. ± 0.COEIBotter, 1963RDSH
C2O2+15.8?EIBotter, 1963RDSH
C3+29.8 ± 0.4?EIBotter, 1963RDSH
C3O+15.9 ± 0.3OEIBotter, 1963RDSH
O+25.8 ± 0.5?EIBotter, 1963RDSH

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.

Kybett, Johnson, et al., 1965
Kybett, B.D.; Johnson, G.K.; Barker, C.K.; Margrave, J.L., The heats of formation and polymerization of carbon suboxide, J. Phys. Chem., 1965, 69, 3603-3606. [all data]

Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B., Photoelectron spectroscopy of radical anions, Tetrahedron, 1986, 42, 6263. [all data]

Rabalais, Bergmark, et al., 1972
Rabalais, J.W.; Bergmark, T.; Werme, L.O.; Karlson, L.; Hussain, M.; Siebahn, K., The high-resolution electron spectrum of carbon suboxide in Electron Spectroscopy, ed. D.A. Shirley (North-Holland Pub. Co., Amsterdam), 1972, 425. [all data]

Baker and Turner, 1968
Baker, C.; Turner, D.W., The photoelectron spectrum and ionisation potentials of carbon suboxide, Chem. Commun., 1968, 400. [all data]

Kim and Roebber, 1966
Kim, H.H.; Roebber, J.L., Vacuum-ultraviolet absorption spectrum of carbon suboxide, J. Chem. Phys., 1966, 44, 1709. [all data]

Botter, 1963
Botter, R., Carbon sub-oxide, Advan. Mass Spectrom., 1963, 2, 540. [all data]

Chen and Holmes, 1994
Chen, H.; Holmes, J.L., The generation of OC2O+ and OC2O and a study of ionized OC3O and C2O by tandem mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1994, 133, 111. [all data]


Notes

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