Cubane
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChIKey: TXWRERCHRDBNLG-UHFFFAOYSA-N
- CAS Registry Number: 277-10-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | Ccb | Kybett, Carroll, et al., 1966 | uncertain value: 148.7 ± 1.0 kcal/mol; ALS | ||
ΔfH°gas | 142.7 ± 1.2 | kcal/mol | Ccb | Kybett, Carroll, et al., 1966, 2 | Value 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
Go To: Top, Gas phase thermochemistry data, Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 129.5 ± 0.8 | kcal/mol | Ccb | Kybett, Carroll, et al., 1966 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1155.18 | kcal/mol | Ccb | Kybett, Carroll, et al., 1966 | Corresponding ΔfHºsolid = 129.51 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry 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 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- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 403.4 ± 3.1 | kcal/mol | G+TS | Hare, Emrick, et al., 1997 | gas phase; Comparable to ammonia; D exchange with ND3 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 396.5 ± 3.0 | kcal/mol | IMRB | Hare, Emrick, et al., 1997 | gas phase; Comparable to ammonia; D exchange with ND3 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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]
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, Reaction thermochemistry data, References
- Symbols used in this document:
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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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