Bullvalene
- Formula: C10H10
- Molecular weight: 130.1864
- IUPAC Standard InChIKey: UKFBVTJTKMSPMI-UHFFFAOYSA-N
- CAS Registry Number: 1005-51-2
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔfH°gas | 334.1 ± 3.3 | kJ/mol | Ccb | Mansson and Sunner, 1981 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 337.1 ± 2.4 | J/mol*K | N/A | Falk B., 1980 | GT |
S°gas | 336.6 ± 1.0 | J/mol*K | N/A | Falk B., 1980 | GT |
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 |
---|---|---|---|---|---|
ΔfH°solid | 262.3 ± 3.3 | kJ/mol | Ccb | Mansson and Sunner, 1981 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -5626.5 ± 3.0 | kJ/mol | Ccb | Mansson and Sunner, 1981 | Corresponding ΔfHºsolid = 262.28 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 174.66 | J/mol*K | N/A | Falk B., 1980 | DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
190.38 | 298.15 | Falk B., 1980 | T = 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 |
---|---|---|---|---|---|
Ttriple | 366.5 | K | N/A | Falk, 1980 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 71.83 | kJ/mol | C | Mansson and Sunner, 1981 | ALS |
ΔsubH° | 71.8 | kJ/mol | N/A | Mansson and Sunner, 1981 | DRB |
ΔsubH° | 71.8 | kJ/mol | C | Mansson and Sunner, 1981 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.250 | 366.5 | Falk B., 1980 | DH |
15.25 | 366.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.61 | 366.5 | Falk B., 1980 | DH |
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
- 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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