Bicyclo[7.2.2]trideca-9,11,12-triene


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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
207.07298.15Carballeira L., 1982These values were calculated by a molecular mechanical method; their uncertainties may be equal to tens of J/mol*K.
280.91400.
548.561000.

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
8.0PESchmidt, Schweig, et al., 1978LLK
8.21PESchmidt, Schweig, et al., 1978Vertical 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.

Carballeira L., 1982
Carballeira L., Comparative conformational analysis of n-paracyclophanes by molecular mechanics, J. Chem. Phys., 1982, 77, 5655-5663. [all data]

Schmidt, Schweig, et al., 1978
Schmidt, H.; Schweig, A.; Thiel, W.; Jones, M., Jr., Photoelektronenspektren und MNDO-Rechnungen fur [n]Paracyclophane, Chem. Ber., 1978, 111, 1958. [all data]


Notes

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