C3H5NO
- Formula: C3H5NO
- Molecular weight: 71.0779
- CAS Registry Number: 321133-13-5
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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
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Individual Reactions
C3H4NO- + = C3H5NO
By formula: C3H4NO- + H+ = C3H5NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 385.6 ± 5.1 | kcal/mol | G+TS | Kass, Filley, et al., 1986 | gas phase; Between H2O, MeOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Kass, Filley, et al., 1986 | gas phase; Between H2O, MeOH |
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
View reactions leading to C3H5NO+ (ion structure unspecified)
De-protonation reactions
C3H4NO- + = C3H5NO
By formula: C3H4NO- + H+ = C3H5NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 385.6 ± 5.1 | kcal/mol | G+TS | Kass, Filley, et al., 1986 | gas phase; Between H2O, MeOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Kass, Filley, et al., 1986 | gas phase; Between H2O, MeOH |
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.
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:
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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