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Cubane

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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:
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
Deltavap10.7 ± 0.2kcal/molCGCBashir-Hashemi, Chickos, et al., 2004AC
Quantity Value Units Method Reference Comment
Deltasub13.2 ± 0.48kcal/molAC+CGCBashir-Hashemi, Chickos, et al., 2004AC
Deltasub  MEKybett, Carroll, et al., 1966uncertain 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

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
19.2 ± 0.4239.VKybett, Carroll, et al., 1966, 2ALS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
2.1404.9ACWhite, Wasylishen, et al., 1992AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
3.604394.White, Wasylishen, et al., 1992, 2CAL
5.136404.9

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.420395.04crystaline, IIcrystaline, IWhite, Wasylishen, et al., 1992DH
2.079404.9crystaline, IliquidWhite, Wasylishen, et al., 1992DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.674395.04crystaline, IIcrystaline, IWhite, Wasylishen, et al., 1992DH
5.43404.9crystaline, IliquidWhite, Wasylishen, et al., 1992DH

References

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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

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