1H-Imidazole, 1-acetyl-
- Formula: C5H6N2O
- Molecular weight: 110.1139
- IUPAC Standard InChI: InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
- IUPAC Standard InChIKey: VIHYIVKEECZGOU-UHFFFAOYSA-N
- CAS Registry Number: 2466-76-4
- 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: Imidazole, 1-acetyl-; Acetylimidazole; N-Acetylimidazole; 1-Acetylimidazole; Imidazole, N-acetyl-; 1-Acetyl-1H-imidazole
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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: 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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By formula: C5H6N2O + H2O = C3H4N2 + C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.83 ± 0.05 | kcal/mol | Cm | Wadso, 1960 | liquid phase; solvent: Aqueous; Heat of hydrolysis |
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By formula: C4H11N + C5H6N2O = C6H13NO + C3H4N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -18.07 ± 0.08 | kcal/mol | Cm | Wadso, 1962 | solid 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.38 | PE | Ramsey, 1979 | Vertical value |
IR 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.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | DOW CHEMICAL COMPANY |
| Source reference | COBLENTZ NO. 07079 |
| Date | 1965/03/23 |
| State | SOLID (SPLIT MULL), FLUOROLUBE FOR 3800-1330 CM-1, NUJOL FOR 1330-450 CM-1 |
| Instrument | DOW KBr FOREPRISM-GRATING |
| Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wadso, 1960
Wadso, I.,
Heats of hydrolysis of N-acetylated imidazole, 1,2,4-triazole and tetrazole,
Acta Chem. Scand., 1960, 14, 903-908. [all data]
Wadso, 1962
Wadso, I.,
Heats of aminolysis and hydrolysis of some N-acetyl compounds and of acetic anhydride,
Acta Chem. Scand., 1962, 16, 471-478. [all data]
Ramsey, 1979
Ramsey, B.G.,
Substituent effects on imidazole basicity and photoelectron spectroscopy determined ionization energies,
J. Org. Chem., 1979, 44, 2093. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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