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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
Deltafgas323.kJ/molChydRoth, Klarner, et al., 1992see Roth, Bohm, et al., 1983; ALS
Deltafgas315. ± 3.kJ/molCcbBremser, Hagen, et al., 1969ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
47.40100.Espinosa-Muller A., 1978These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT
92.80200.
144.98298.15
145.94300.
196.94400.
241.50500.
278.49600.
309.16700.
334.76800.
356.27900.
374.431000.

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
Deltafliquid254. ± 2.kJ/molCcbBremser, Hagen, et al., 1969 
Quantity Value Units Method Reference Comment
Deltacliquid-6011.99kJ/molCcbBremser, Hagen, et al., 1969Corresponding «DELTA»fliquid = 254.2 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tfus301. - 302.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Deltavap60.75kJ/molVBremser, Hagen, et al., 1969ALS
Deltavap61.0kJ/molN/ABremser, Hagen, et al., 1969DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
341. - 345.0.001Buckingham and Donaghy, 1982BS

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C11H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
7.7PEAndrea, Cerfontain, et al., 1984LBLHLM
7.92PEAndrea, Cerfontain, et al., 1984Vertical value; LBLHLM
7.90PEBoschi, Schmidt, et al., 1972Vertical value; LLK

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 190616

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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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UVVis 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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Andrea, Cerfontain, et al., 1984
Andrea, R.R.; Cerfontain, H.; Lamberchts, H.J.A.; Louwen, J.N.; Oskam, A., He I and He II photoelectron spectra and CNDO/S and MNDO MO calculations of some bridged [10] annulenes, J. Am. Chem. Soc., 1984, 106, 2531. [all data]

Boschi, Schmidt, et al., 1972
Boschi, R.; Schmidt, W.; Gfeller, J.-C., The electronic structure of 1,6-methano-cyclodecapentaene, Tetrahedron Lett., 1972, 40, 4107. [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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