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6,12-Methano-7H-benzocycloundecen-14-one,

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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
Deltafgas137. ± 13.kJ/molCcbSchmid, Kloster-Jensen, et al., 1956Reanalyzed by Cox and Pilcher, 1970, Original value = 129. kJ/mol

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
Deltafsolid50.9 ± 6.3kJ/molCcbSchmid, Kloster-Jensen, et al., 1956Reanalyzed by Cox and Pilcher, 1970, Original value = 60.2 ± 6.3 kJ/mol
Quantity Value Units Method Reference Comment
Deltacsolid-8633.7 ± 6.3kJ/molCcbSchmid, Kloster-Jensen, et al., 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -8642.9 ± 6.3 kJ/mol; Corresponding «DELTA»fsolid = 50.88 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

View reactions leading to C16H16O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.0PEAllan, Heilbronner, et al., 1975LLK
8.31 ± 0.03PEAllan, Heilbronner, et al., 1975Vertical 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.

Schmid, Kloster-Jensen, et al., 1956
Schmid, R.W.; Kloster-Jensen, E.; Kovats, E.; Heilbronner, E., 96. Untersuchungen in der benztropylium-reihe. IV. Die bildungsenthalpien des 2,7-dimethyl-4,5-benztropons, des 2,7-dodecamethylen-4,5-benztropons und des 2,7-penta-methylen-4,5-benztropons, Helv. Chim. Acta, 1956, 39, 806-812. [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]

Allan, Heilbronner, et al., 1975
Allan, M.; Heilbronner, E.; Kloster-Jensen, E., A photoelectron-spectroscopic investigation of benzologue tropones, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 181. [all data]


Notes

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