Acetic acid, iodo-
- Formula: C2H3IO2
- Molecular weight: 185.9485
- IUPAC Standard InChI: InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
- IUPAC Standard InChIKey: JDNTWHVOXJZDSN-UHFFFAOYSA-N
- CAS Registry Number: 64-69-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Iodoacetic acid; Monoiodoacetic acid; MIA; CH2ICOOH; IA; Kyselina jodoctova
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Gas phase ion energetics 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.6 | PE | Watanabe, Yokoyama, et al., 1973 | LLK |
| 11.03 | PE | Watanabe, Yokoyama, et al., 1973 | Vertical value; LLK |
De-protonation reactions
+
=
By formula: C2H2IO2- + H+ = C2H3IO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 334.7 ± 2.2 | kcal/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 327.7 ± 2.0 | kcal/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase; B |
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.
Watanabe, Yokoyama, et al., 1973
Watanabe, I.; Yokoyama, Y.; Ikeda, S.,
Lone pair ionization potentials of carboxylic acids determined by He(I) photoelectron spectroscopy,
Bull. Chem. Soc. Jpn., 1973, 46, 1959. [all data]
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]
Notes
Go To: Top, 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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