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cis-1-Phenyl-3,3-dimethyl-but-1-ene

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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
Deltafliquid-31.8 ± 2.1kJ/molCcbYates and McDonald, 1973%hc298 calculated possible error by the authors
Quantity Value Units Method Reference Comment
Deltacliquid-6976.9 ± 2.1kJ/molCcbYates and McDonald, 1973%hc298 calculated possible error by the authors; Corresponding «DELTA»fliquid = -31.8 kJ/mol (simple calculation by NIST; no Washburn corrections)

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.3PEKobayashi, Arai, et al., 1981LLK
8.29 ± 0.04EIBenito, Seidl, et al., 1973LLK
8.85PEKobayashi, Arai, et al., 1981Vertical value; LLK

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.

Yates and McDonald, 1973
Yates, K.; McDonald, R.S., Kinetics and mechanisms of electrophilic addition. II. A thermochemical-kinetic approach to transition-state structure, J. Org. Chem., 1973, 38, 2465-2478. [all data]

Kobayashi, Arai, et al., 1981
Kobayashi, T.; Arai, T.; Sakuragi, H.; Tokumaru, K.; Utsunomiya, C., A new nethod for conformational analysis by photoelectron spectroscopy with application to alkyl-substituted styrenes, Bull. Chem. Soc. Jpn., 1981, 54, 1658. [all data]

Benito, Seidl, et al., 1973
Benito, I.; Seidl, H.; Bock, H., Efectos electronicos y estericos de sustituyentes alquilicos y silicicos sobre el sistema electronico «pi» del estireno, Rev. Fac. Cienc. Univ. Oviedo, 1973, 14, 95. [all data]


Notes

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