Benzene, 1,4-bis(1-methylethyl)-

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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

2Benzene, (1-methylethyl)- = Benzene, 1,4-bis(1-methylethyl)- + Benzene

By formula: 2C9H12 = C12H18 + C6H6

Quantity Value Units Method Reference Comment
Δr1.5 ± 0.63kJ/molEqkPopov, Rozhnov, et al., 1974gas phase

Benzene, 1,4-bis(1-methylethyl)- = Benzene, 1,3-bis(1-methylethyl)-

By formula: C12H18 = C12H18

Quantity Value Units Method Reference Comment
Δr0.0 ± 0.54kJ/molEqkPopov, Rozhnov, et al., 1974gas 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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C12H18+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
8.35PEBock, Kaim, et al., 1978

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114785

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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. 20031
Instrument unknown
Melting point - 17
Boiling point 210.3

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.

Popov, Rozhnov, et al., 1974
Popov, V.E.; Rozhnov, A.M.; Satronov, V.S.; Volkova, A.G., Disproportionation equilibrium for isopropylbenzene, Neftekhimiya, 1974, 14, 364-367. [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]

Kusakov, et al., 1963
Kusakov, M.M., et al., Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 66. [all data]


Notes

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