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Benzene, 1-iodo-2-methyl-

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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
Deltafgas133. ± 5.9kJ/molCcbSmith, 1956Heat of formation derived by Cox and Pilcher, 1970

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
Deltafliquid78.2 ± 4.2kJ/molCcbSmith, 1956Heat of formation derived by Cox and Pilcher, 1970
Quantity Value Units Method Reference Comment
Deltacliquid-3833.4 ± 4.2kJ/molCcbSmith, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -3829.6 kJ/mol

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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C7H6I- + Hydrogen cation = Benzene, 1-iodo-2-methyl-

By formula: C7H6I- + H+ = C7H7I

Quantity Value Units Method Reference Comment
Deltar1557. ± 13.kJ/molG+TSWenthold, Wierschke, et al., 1994gas phase; Between MeCN and FCH2CH2OH
Quantity Value Units Method Reference Comment
Deltar1527. ± 13.kJ/molIMRBWenthold, Wierschke, et al., 1994gas phase; Between MeCN and FCH2CH2OH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Smith, 1956
Smith, L., Corrected heats of combustion of organic iodine compounds, Acta Chem. Scand., 1956, 10, 884-886. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Wenthold, Wierschke, et al., 1994
Wenthold, P.G.; Wierschke, S.G.; Nash, J.J.; Squires, R.R., Biradical thermochemistry from collision-induced dissociation threshold energy measurements .2. Experimental and theoretical studies of the Mechanism and Thermochemistry of Formation of alph, J. Am. Chem. Soc., 1994, 116, 16, 7378, https://doi.org/10.1021/ja00095a048 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References