Acetyl iodide
- Formula: C2H3IO
- Molecular weight: 169.9491
- IUPAC Standard InChI: InChI=1S/C2H3IO/c1-2(3)4/h1H3
- IUPAC Standard InChIKey: LEKJTGQWLAUGQA-UHFFFAOYSA-N
- CAS Registry Number: 507-02-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: UN 1898
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -29.88 ± 0.85 | kcal/mol | Cm | Devore and O'Neal, 1969 | Reanalyzed by Cox and Pilcher, 1970, Original value = -30.92 ± 0.39 kcal/mol; Heat of hydrolysis |
| ΔfH°gas | -30.3 ± 0.5 | kcal/mol | Eqk | Walsh and Benson, 1966 | |
| ΔfH°gas | -31.8 | kcal/mol | Cm | Carson and Skinner, 1949 | Heat of hydrolysis |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
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=
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By formula: C2H3IO + H2O = HI + C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -22.46 | kcal/mol | Cm | Devore and O'Neal, 1969 | liquid phase; Heat of hydrolysis |
| ΔrH° | -21.59 | kcal/mol | Cm | Carson and Skinner, 1949 | liquid phase; Heat of hydrolysis |
+
=
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By formula: C2H4O + I2 = HI + C2H3IO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 0.7 ± 0.5 | kcal/mol | Eqk | Walsh and Benson, 1966 | gas phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 9.28 | I | PI | Traeger, McLouglin, et al., 1982 |
References
Go To: Top, Gas phase thermochemistry data, 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.
Devore and O'Neal, 1969
Devore, J.A.; O'Neal, H.E.,
Heats of formation of the acetyl halides and of the acetyl radical,
J. Phys. Chem., 1969, 73, 2644-2648. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Walsh and Benson, 1966
Walsh, R.; Benson, S.W.,
The heats of formation of acetyl iodide and the acetyl radical,
J. Phys. Chem., 1966, 70, 3751-3753. [all data]
Carson and Skinner, 1949
Carson, A.S.; Skinner, H.A.,
201. Carbon-halogen bond energies in the acetyl halides,
J. Chem. Soc., 1949, 936-939. [all data]
Traeger, McLouglin, et al., 1982
Traeger, J.C.; McLouglin, R.G.; Nicholson, A.J.C.,
Heat of formation for acetyl cation in the gas phase,
J. Am. Chem. Soc., 1982, 104, 5318. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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