Bicyclo[1.1.0]butane
- Formula: C4H6
- Molecular weight: 54.0904
- IUPAC Standard InChIKey: LASLVGACQUUOEB-UHFFFAOYSA-N
- CAS Registry Number: 157-33-5
- Chemical structure:
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 217. ± 0.8 | kJ/mol | Cm | Wiberg and Fenoglio, 1968 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2648.7 ± 0.79 | kJ/mol | Cm | Wiberg and Fenoglio, 1968 | Corresponding ΔfHºgas = 217.1 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
C4H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1670. ± 17. | kJ/mol | G+TS | Kass and Chou, 1988 | gas phase; Acidity between NH3, Me2NH, near nPrNH2.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1636. ± 17. | kJ/mol | IMRB | Kass and Chou, 1988 | gas phase; Acidity between NH3, Me2NH, near nPrNH2.; B |
By formula: C4H6I2 = C4H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 4.2 | kJ/mol | Cm | Sunner and Wulff, 1973 | liquid phase; ALS |
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.
Wiberg and Fenoglio, 1968
Wiberg, K.B.; Fenoglio, R.A.,
Heats of formation of C4H6 hydrocarbons,
J. Am. Chem. Soc., 1968, 90, 3395-3397. [all data]
Kass and Chou, 1988
Kass, S.R.; Chou, P.K.,
The Bicyclobutyl Anion: An Alkyl Carbanion,
J. Am. Chem. Soc., 1988, 110, 23, 7899, https://doi.org/10.1021/ja00231a063
. [all data]
Sunner and Wulff, 1973
Sunner, S.; Wulff, C.A.,
Ring strain in diiodocyclobutane,
Acta Chem. Scand., 1973, 27, 315-317. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas 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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