Acetic acid, iodo-
- Formula: C2H3IO2
- Molecular weight: 185.9485
- 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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Phase change 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: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 86.5 ± 1.0 | kJ/mol | ME | Lagoa, Diogo, et al., 2001 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference |
---|---|---|---|
15.5 | 355.1 | DSC | Lagoa, Diogo, et al., 2001 |
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 by: John E. Bartmess
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Individual Reactions
By formula: C2H2IO2- + H+ = C2H3IO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1400. ± 9.2 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1371. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
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° | 1400. ± 9.2 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1371. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase; B |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291039 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Durie and Jarvie, 1950 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 10194 |
Instrument | Beckman spectrophotometer |
Melting point | 82.5 |
Boiling point | dec |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lagoa, Diogo, et al., 2001
Lagoa, Ana L.C.; Diogo, Hermínio P.; Dias, M. Pilar; Minas da Piedade, Manuel E.; Amaral, Luísa M.P.F.; Ribeiro da Silva, Manuel A.V.; Martinho Simões, José A.; Guedes, Rita C.; Costa Cabral, Benedito J.; Schwarz, Karsten; Epple, Matthias,
Energetics of C-Cl, C-Br, and C-I Bonds in Haloacetic Acids: Enthalpies of Formation of XCH2COOH (X=Cl, Br, I) Compounds and the Carboxymethyl Radical,
Chem. Eur. J., 2001, 7, 2, 483-489, https://doi.org/10.1002/1521-3765(20010119)7:2<483::AID-CHEM483>3.0.CO;2-A
. [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]
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]
Durie and Jarvie, 1950
Durie, R.A.; Jarvie, J.M.S.,
J. Chem. Soc., 1950, 1181. [all data]
Notes
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- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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