cyclobutene-1-ide anion
- Formula: C4H5-
- Molecular weight: 53.0830
- IUPAC Standard InChI: InChI=1S/C4H5/c1-2-4-3-1/h1H,2,4H2/q-1
- IUPAC Standard InChIKey: XUZNJNLJHBFSNT-UHFFFAOYSA-N
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 404.6 ± 1.5 | kcal/mol | CIDC | Tian, Fattahi, et al., 2006 | gas phase |
| ΔrH° | 397.1 ± 5.1 | kcal/mol | G+TS | Kass, Filley, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 396.5 ± 1.6 | kcal/mol | H-TS | Tian, Fattahi, et al., 2006 | gas phase |
| ΔrG° | 389.0 ± 5.0 | kcal/mol | IMRB | Kass, Filley, et al., 1986 | gas phase |
Gas phase ion energetics data
Go To: Top, 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: John E. Bartmess
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.932 ± 0.087 | IMRB | Tian, Fattahi, et al., 2006 |
Protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 404.6 ± 1.5 | kcal/mol | CIDC | Tian, Fattahi, et al., 2006 | gas phase |
| ΔrH° | 397.1 ± 5.1 | kcal/mol | G+TS | Kass, Filley, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 396.5 ± 1.6 | kcal/mol | H-TS | Tian, Fattahi, et al., 2006 | gas phase |
| ΔrG° | 389.0 ± 5.0 | kcal/mol | IMRB | Kass, Filley, et al., 1986 | gas phase |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tian, Fattahi, et al., 2006
Tian, Z.X.; Fattahi, A.; Lis, L.; Kass, S.R.,
Cycloalkane and cycloalkene C-H bond dissociation energies,
J. Am. Chem. Soc., 2006, 128, 51, 17087-17092, https://doi.org/10.1021/ja065348u
. [all data]
Kass, Filley, et al., 1986
Kass, S.R.; Filley, J.; Van Doren, J.M.; DePuy, C.H.,
Nitrous oxide in gas-phase ion-molecule chemistry: A versatile reagent for the determination of carbanion structure,
J. Am. Chem. Soc., 1986, 108, 2849. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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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