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Cubane

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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

Quantity Value Units Method Reference Comment
Deltafgas  CcbKybett, Carroll, et al., 1966uncertain value: 622.2 ± 4.2 kJ/mol; ALS
Deltafgas597.1 ± 5.0kJ/molCcbKybett, Carroll, et al., 1966, 2Value recomputed with updated enthalpy of sublimation from Bashir-Hashemi, Chickos, et al., 2004. The value used in the original paper is now deemed unreliable.

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid542. ± 3.kJ/molCcbKybett, Carroll, et al., 1966 
Quantity Value Units Method Reference Comment
Deltacsolid-4833.27kJ/molCcbKybett, Carroll, et al., 1966Corresponding «DELTA»fsolid = 541.87 kJ/mol (simple calculation by NIST; no Washburn corrections)

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
Deltavap44.6 ± 0.8kJ/molCGCBashir-Hashemi, Chickos, et al., 2004AC
Quantity Value Units Method Reference Comment
Deltasub55.2 ± 2.0kJ/molAC+CGCBashir-Hashemi, Chickos, et al., 2004AC
Deltasub  MEKybett, Carroll, et al., 1966, 2uncertain value: 80.3 ± 1.6 kJ/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, 2 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 (kJ/mol) Temperature (K) Method Reference Comment
80. ± 2.239.VKybett, Carroll, et al., 1966ALS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
8.7404.9ACWhite, Wasylishen, et al., 1992AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
15.08394.White, Wasylishen, et al., 1992, 2CAL
21.49404.9

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
5.940395.04crystaline, IIcrystaline, IWhite, Wasylishen, et al., 1992DH
8.700404.9crystaline, IliquidWhite, Wasylishen, et al., 1992DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
15.37395.04crystaline, IIcrystaline, IWhite, Wasylishen, et al., 1992DH
22.7404.9crystaline, IliquidWhite, Wasylishen, et al., 1992DH

Reaction 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C8H7- + Hydrogen cation = Cubane

By formula: C8H7- + H+ = C8H8

Quantity Value Units Method Reference Comment
Deltar1688. ± 13.kJ/molG+TSHare, Emrick, et al., 1997gas phase; Comparable to ammonia; D exchange with ND3
Quantity Value Units Method Reference Comment
Deltar1659. ± 13.kJ/molIMRBHare, Emrick, et al., 1997gas phase; Comparable to ammonia; D exchange with ND3

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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, 626. [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, 3, 626-626, https://doi.org/10.1021/ja00955a056 . [all data]

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]

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]

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]

Hare, Emrick, et al., 1997
Hare, M.; Emrick, T.; Eaton, P.E.; Kass, S.R., Cubyl Anion Formation and an Experimental Determination of the Acidity and C-H Bond Dissociation Energy of Cubane, J. Am. Chem. Soc., 1997, 119, 1, 237, https://doi.org/10.1021/ja9627858 . [all data]


Notes

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