Benzene, 1,4-diethyl-

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Reaction 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

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Individual Reactions

Benzene, 1,4-diethyl- = Hydrogen + Benzene, 1-ethenyl-4-ethyl-

By formula: C10H14 = H2 + C10H12

Quantity Value Units Method Reference Comment
Δr31. ± 2.kcal/molCmLebedev, Rozhkov, et al., 1983gas phase; Dehydrogenation, gas phase

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)8.40eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.40PEBock, Kaim, et al., 1978LLK
8.43PEGleiter, Hopf, et al., 1980Vertical value; LLK

Mass spectrum (electron ionization)

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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: 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 Japan AIST/NIMC Database- Spectrum MS-NW-3762
NIST MS number 229731

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UV/Visible spectrum

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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: 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 Kusakov, et al., 1963
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. 20029
Instrument unknown
Melting point - 42.8
Boiling point 183.7

References

Go To: Top, Reaction thermochemistry 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.

Lebedev, Rozhkov, et al., 1983
Lebedev, N.N.; Rozhkov, V.I.; Odabashyan, G.V.; Rozhkova, I.O.; Zaidman, O.A., Dehydrogenation of p-diethylbenzene, Neftekhimiya, 1983, 23, 508-510. [all data]

Bock, Kaim, et al., 1978
Bock, H.; Kaim, W.; Rohwer, H.E., Die hyperkonjugative Stabilisierung von p-Xylol-Radikalkationen durch (H3C)3Si-Substituenten, Chem. Ber., 1978, 111, 3573. [all data]

Gleiter, Hopf, et al., 1980
Gleiter, R.; Hopf, H.; Eckert-Maksic, M.; Noble, K.-L., Photoelektronenspektren von [8]paracyclophan und [8]paracyclophan-4-en. Eine ermittlung des induktiven und hyperkonjugativen effekts fur [n]Ppracyclophane, Chem. Ber., 1980, 113, 3401. [all data]

Kusakov, et al., 1963
Kusakov, M.M., et al., Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 63. [all data]


Notes

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