1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-

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

Quantity Value Units Method Reference Comment
Δfgas-73.54 ± 0.38kcal/molCcbSellers, 1971 

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
Δfsolid-90.80 ± 0.36kcal/molCcbSellers, 1971 
Quantity Value Units Method Reference Comment
Δcsolid-1071.51 ± 0.33kcal/molCcbSellers, 1971Corresponding Δfsolid = -90.789 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δsub17.3 ± 0.1kcal/molCSellers, 1971ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
400.20.987Aldrich Chemical Company Inc., 1990BS

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

Ionization energy determinations

IE (eV) Method Reference Comment
9.0 ± 0.02EIOlivares, Flesch, et al., 1984LBLHLM
8.80PEDougherty, Brint, et al., 1978Vertical value; LLK
8.80PECowan, Gleiter, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H12O+9.6 ± 0.03COEIOlivares, Flesch, et al., 1984LBLHLM

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.

Sellers, 1971
Sellers, P., Enthalpy of formation of tetramethyl-1,3-cyclobutane-dione, Acta Chem. Scand., 1971, 25, 2291-2294. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Olivares, Flesch, et al., 1984
Olivares, J.A.; Flesch, G.D.; Svec, H.J., Mass spectrometry of five ketene dimers, Int. J. Mass Spectrom. Ion Processes, 1984, 56, 293. [all data]

Dougherty, Brint, et al., 1978
Dougherty, D.; Brint, P.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls. Lone-pair interactions in α-, β-, γ δ-dicarbonyls, J. Am. Chem. Soc., 1978, 100, 5597. [all data]

Cowan, Gleiter, et al., 1971
Cowan, D.O.; Gleiter, R.; Hashmall, J.A.; Heilbronner, E.; Hornung, V., Interaction between the orbitals of lone pair electrons in dicarbonyl compounds, Angew. Chem. Int. Ed. Engl., 1971, 10, 401. [all data]


Notes

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