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Bullvalene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes

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
Deltafgas79.85 ± 0.79kcal/molCcbMansson and Sunner, 1981ALS
Quantity Value Units Method Reference Comment
gas80.57 ± 0.57cal/mol*KN/AFalk B., 1980GT
gas80.45 ± 0.24cal/mol*KN/AFalk B., 1980GT

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes

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

Quantity Value Units Method Reference Comment
Deltafsolid62.69 ± 0.79kcal/molCcbMansson and Sunner, 1981ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1344.77 ± 0.72kcal/molCcbMansson and Sunner, 1981Corresponding «DELTA»fsolid = 62.686 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar41.745cal/mol*KN/AFalk B., 1980DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
45.502298.15Falk B., 1980T = 5 to 450 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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

Quantity Value Units Method Reference Comment
Ttriple366.5KN/AFalk, 1980Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Deltasub17.17kcal/molCMansson and Sunner, 1981ALS
Deltasub17.2kcal/molN/AMansson and Sunner, 1981DRB
Deltasub17.2kcal/molCMansson and Sunner, 1981AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.6448366.5Falk B., 1980DH
3.645366.5Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.945366.5Falk B., 1980DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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[3.3.2.04,6]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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References