EtCO2 anion
- Formula: C3H5O2-
- Molecular weight: 73.0711
- IUPAC Standard InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
- IUPAC Standard InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-M
- CAS Registry Number: 72-03-7
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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 |
|---|---|---|---|
| 3.43 ± 0.16 | D-EA | Caldwell, Renneboog, et al., 1989 | |
| 3.40 ± 0.30 | LPES | Ding, Wang, et al., 1998 | Around 3.4 eV" for CH3(CH2)nCO2-, n=0-8, Dervived DH = 113.4±8 kcal/mol |
Protonation reactions
+
=
By formula: C3H5O2- + H+ = C3H6O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 347.4 ± 2.2 | kcal/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
| ΔrH° | 347.4 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 340.4 ± 2.0 | kcal/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
| ΔrG° | 340.3 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
References
Go To: Top, 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.
Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P.,
Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria,
Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092
. [all data]
Ding, Wang, et al., 1998
Ding, C.F.; Wang, X.B.; Wang, L.S.,
Photoelectron spectroscopy of doubly charged anions: Intramolecular Coulomb repulsion and solvent stabilization,
J. Phys. Chem. A, 1998, 102, 45, 8633-8636, https://doi.org/10.1021/jp982698x
. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Notes
Go To: Top, 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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