Cubane
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChI: InChI=1S/C8H8/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-8H
- IUPAC Standard InChIKey: TXWRERCHRDBNLG-UHFFFAOYSA-N
- CAS Registry Number: 277-10-1
- Chemical structure:
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Phase change data
Go To: Top, 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 10.7 ± 0.2 | kcal/mol | CGC | Bashir-Hashemi, Chickos, et al., 2004 | AC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 13.2 ± 0.48 | kcal/mol | AC+CGC | Bashir-Hashemi, Chickos, et al., 2004 | AC |
| ΔsubH° | ME | Kybett, Carroll, et al., 1966 | uncertain value: 19.2 ± 0.38 kcal/mol; in Ref. Diky, Frenkel, et al., 2003 the authors state that the value of 80.3 kJ/mole from Kybett, Carroll, et al., 1966 pertains to the average temperature and not to 298 K. The authors give a value of 79.1±1.7 for the 298 K value; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 19.2 ± 0.4 | 239. | V | Kybett, Carroll, et al., 1966, 2 | ALS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 2.1 | 404.9 | AC | White, Wasylishen, et al., 1992 | AC |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.604 | 394. | White, Wasylishen, et al., 1992, 2 | CAL |
| 5.136 | 404.9 |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.420 | 395.04 | crystaline, II | crystaline, I | White, Wasylishen, et al., 1992 | DH |
| 2.079 | 404.9 | crystaline, I | liquid | White, Wasylishen, et al., 1992 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 3.674 | 395.04 | crystaline, II | crystaline, I | White, Wasylishen, et al., 1992 | DH |
| 5.43 | 404.9 | crystaline, I | liquid | White, Wasylishen, et al., 1992 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bashir-Hashemi, Chickos, et al., 2004
Bashir-Hashemi, A.; Chickos, James S.; Hanshaw, William; Zhao, Hui; Farivar, Behzad S.; Liebman, Joel F.,
The enthalpy of sublimation of cubane,
Thermochimica Acta, 2004, 424, 1-2, 91-97, https://doi.org/10.1016/j.tca.2004.05.022
. [all data]
Kybett, Carroll, et al., 1966
Kybett, B.D.; Carroll, S.; Natalis, P.; Bonnell, D.W.; Margrave, J.L.; Franklin, J.L.,
Thermodynamic Properties of Cubane,
J. Am. Chem. Soc., 1966, 88, 3, 626-626, https://doi.org/10.1021/ja00955a056
. [all data]
Diky, Frenkel, et al., 2003
Diky, Vladimir V.; Frenkel, Michael; Karpushenkava, Larisa S.,
Thermodynamics of sublimation of cubane: natural anomaly or experimental error?,
Thermochimica Acta, 2003, 408, 1-2, 115-121, https://doi.org/10.1016/S0040-6031(03)00318-6
. [all data]
Kybett, Carroll, et al., 1966, 2
Kybett, B.D.; Carroll, S.; Natalis, P.; Bonnell, D.W.; Margrave, J.L.; Franklin, J.L.,
Thermodynamic properties of cubane,
J. Am. Chem. Soc., 1966, 88, 626. [all data]
White, Wasylishen, et al., 1992
White, M.A.; Wasylishen, R.E.; Eaton, P.E.; Xiong, Y.; Pramod, K.; Nodari, N.,
Orientational disorder in solid cubane: a thermodynamic and 13C NMR study,
J. Phys. Chem., 1992, 96(1), 421-425. [all data]
White, Wasylishen, et al., 1992, 2
White, M.A.; Wasylishen, R.E.; Eaton, P.E.; Xiong, Y.; Pramod, K.; Nodari, N.,
Orientational disorder in solid cubane: a thermodynamic and carbon-13 NMR study,
J. Phys. Chem., 1992, 96, 1, 421, https://doi.org/10.1021/j100180a078
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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