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3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-


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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference
6.341387.9Fattahi, Kass, et al., 2005

Gas phase ion energetics data

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.804 ± 0.087IMREHeinis, Chowdhury, et al., 1988Equilibria not as good as others in study; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.81PESchang, Gleiter, et al., 1978Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, 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

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin R.W.A.OLIVER UNIV. OF SALFORD, SALFORD, LANCASHIRE, UK
NIST MS number 57967

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Phase change data, 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 by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Stallings, et al., 1981
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 18828
Instrument Cary 17D
Melting point 114-115

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Fattahi, Kass, et al., 2005
Fattahi, Alireza; Kass, Steven R.; Liebman, Joel F.; Matos, M. Agostinha R.; Miranda, Margarida S.; Morais, Victor M.F., The Enthalpies of Formation of o -, m -, and p -Benzoquinone: Gas-Phase Ion Energetics, Combustion Calorimetry, and Quantum Chemical Computations Combined, J. Am. Chem. Soc., 2005, 127, 16, 6116-6122, https://doi.org/10.1021/ja042612f . [all data]

Heinis, Chowdhury, et al., 1988
Heinis, T.; Chowdhury, S.; Scott, S.L.; Kebarle, P., Electron Affinities of Benzo-, Naphtho-, and Anthraquinones Determined from Gas-Phase Equilibria Measurements, J. Am. Chem. Soc., 1988, 110, 2, 400, https://doi.org/10.1021/ja00210a015 . [all data]

Schang, Gleiter, et al., 1978
Schang, P.; Gleiter, R.; Rieker, A., The He(I) photoelectron spectrum of cyclobutene-1,2-dione and o-benzoquinone, Ber. Bunsen-Ges. Phys. Chem., 1978, 82, 629. [all data]

Stallings, et al., 1981
Stallings, M.D., et al., Inorg. Chem., 1981, 20, 2655. [all data]


Notes

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