2(1H)-Quinolinone
- Formula: C9H7NO
- Molecular weight: 145.1580
- IUPAC Standard InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-N
- CAS Registry Number: 59-31-4
- 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. - Species with the same structure:
- Other names: Carbostyril; α-Hydroxyquinoline; α-Quinolone; o-Aminocinnamic acid lactam; 2(1H)-Quinolone; 2-Hydroxyquinoline; 2-Quinolinol; 1H-Quinolin-2-one; 2-Quinolinone; 2-Quinolone; NSC 156783
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Gas phase 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -6.09 ± 0.57 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1990 |
Condensed phase 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -34.63 ± 0.55 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1990 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1050.9 ± 0.48 | kcal/mol | Ccb | Ribeiro da Silva, Matos, et al., 1990 |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 28.5 ± 0.1 | kcal/mol | V | Ribeiro da Silva, Matos, et al., 1990 | ALS |
ΔsubH° | 28.5 ± 0.1 | kcal/mol | ME | Ribeiro da Silva, Matos, et al., 1990 | Based on data from 375. to 390. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.5 ± 0.1 | 383. | ME | Ribeiro da Silva, Matos, et al., 1990 | Based on data from 375. to 390. K.; AC |
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 |
---|---|---|---|
8.40 | PE | Pfister-Guillouzo, Guimon, et al., 1981 | Vertical value |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: 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 | Japan AIST/NIMC Database- Spectrum MS-NW-3596 |
NIST MS number | 231933 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva, Matos, et al., 1990
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; Monte, M.J.S.,
Enthalpies of combustion, vapour pressures, and enthalpies of sublimation of 2-hydroxyquinoline, 4-methyl-2-hydroxyquinoline, 4-hydroxyquinoline, and 2-methyl-4-hydroxyquinoline,
J. Chem. Thermodyn., 1990, 22, 609-616. [all data]
Pfister-Guillouzo, Guimon, et al., 1981
Pfister-Guillouzo, G.; Guimon, C.; Frank, J.; Ellison, J.; Katritzky, A.R.,
Tautomeric pyridines,26. A photoelectron spectral study of the vapour phase tautomerism of 2- and 4-quinolone,
Liebigs Ann. Chem., 1981, 366. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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