Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene


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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas77.1kcal/molChydRoth, Klarner, et al., 1992see Roth, Bohm, et al., 1983; ALS
Δfgas75.2 ± 0.6kcal/molCcbBremser, Hagen, et al., 1969ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
11.33100.Espinosa-Muller A., 1978These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
22.18200.
34.651298.15
34.880300.
47.070400.
57.720500.
66.561600.
73.891700.
80.010800.
85.151900.
89.4911000.

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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Additional Data

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Source Vogel and Roth, 1966
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. 19934
Instrument Cary 14
Melting point 28-29
Boiling point 76-78

References

Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, Notes

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

Roth, Klarner, et al., 1992
Roth, W.R.; Klarner, F.-G.; Siepert, G.; Lennartz, H.-W., Zur Frage der Homoaromatizitat von Norcaradien und Cycloheptatrien, Chem. Ber., 1992, 125, 217-224. [all data]

Roth, Bohm, et al., 1983
Roth, W.R.; Bohm, M.; Lenhartz, H-W.; Vogel, E., Heats of hydrogenation. Part 5. Resonance energy of bridged [10]annulenes, Angew. Chem., 1983, 95, 1011-1012. [all data]

Bremser, Hagen, et al., 1969
Bremser, W.; Hagen, R.; Heilbronner, E.; Vogel, E., 48. Die Bildungsenthalpie 1,6-uberbruckter [10]Annulene, Helv. Chim. Acta, 1969, 52, 418-431. [all data]

Espinosa-Muller A., 1978
Espinosa-Muller A., Conformational and thermodynamical prediction of the 1,5-methano(10)-annulene, 1,6-methano(10)-annulene, and some benzo derivatives, J. Chem. Phys., 1978, 69, 367-372. [all data]

Vogel and Roth, 1966
Vogel, E.; Roth, H.D., UV atlas of organic compounds, 1966, 1, A15/5. [all data]


Notes

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