Bullvalene

• Formula: C₁₀H₁₀
• Molecular weight: 130.1864
• IUPAC Standard InChI: InChI=1S/C10H10/c1-4-8-9-5-2-7(1)3-6-10(8)9/h1-10H Copy

  
• IUPAC Standard InChIKey: UKFBVTJTKMSPMI-UHFFFAOYSA-N Copy
• CAS Registry Number: 1005-51-2
• Chemical structure:
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • UV/Visible spectrum
  • References
  • Notes
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of fusion

Entropy of fusion

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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₁₀H₁₀⁺ (ion structure unspecified)

Ionization energy determinations

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.

Mansson and Sunner, 1981
Mansson, M.; Sunner, S., Enthalpy of formation and strain energy of bullvalene (tricyclo[3.3.2.0^4,6]deca-2,7,9-triene); a calorimetric study, J. Chem. Thermodyn., 1981, 13, 671-675. [all data]

Falk B., 1980
Falk B., Heat capacity and thermodynamic properties of tricyclo[3.3.2.0(4,6)]deca-2,7,9-triene (bullvalene) between 5 and 450 K, J. Chem. Thermodyn., 1980, 12, 967-974. [all data]

Falk, 1980
Falk, B., Heat capacity and thermodynamic properties of tricyclo(3.3.2)deca-2,7,9- triene(bullvalene) between 5 and 450 k, J. Chem. Thermodyn., 1980, 12, 967. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method, J. Am. Chem. Soc., 1970, 92, 19. [all data]

Bischof, Gleiter, et al., 1970
Bischof, P.; Gleiter, R.; Heilbronner, E.; Hornung, V.; Schroder, G., The conjugative interaction between π-orbitals and Walsh-e-orbitals in bullvalene and related systems, Helv. Chim. Acta, 1970, 53, 1645. [all data]

Vagt and Crigee, 1966
Vagt, G.; Crigee, R., UV atlas of organic compounds, 1966, 1, A1/9. [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°gas	Entropy of gas at standard conditions
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Ttriple	Triple point temperature
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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