2(1H)-Pyridinone, 1-methyl-
- Formula: C6H7NO
- Molecular weight: 109.1259
- IUPAC Standard InChIKey: DVVGIUUJYPYENY-UHFFFAOYSA-N
- CAS Registry Number: 694-85-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2(1H)-Pyridone, 1-methyl-; N-Methyl-2-pyridone; 1-Methyl-1,2-dihydro-2-pyridinone; 1-Methyl-2(1H)-pyridinone; 1-Methyl-2(1H)-pyridone; 1-Methyl-2-pyridinone; 1-Methyl-2-pyridone; N-Methylpyridone; 1-Methyl-2-oxopyridine; NSC 9383; 1-Methyl-1H-pyridin-2-one; 1-methylpyridine-2-one
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Phase change data
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
523.2 | 0.987 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
60.2 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 399. K.; AC |
Reaction thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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
B - John E. Bartmess
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
By formula: C6H7NO = C6H7NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -57.3 ± 4.6 | kJ/mol | Ciso | Beak, Mueller, et al., 1974 | liquid phase; solvent: 1,2-Dichloroethane; #LED; ALS |
ΔrH° | -39. ± 5.9 | kJ/mol | Ciso | Beak, Mueller, et al., 1974 | gas phase; Hr gas phase; ALS |
ΔrH° | -52. ± 3. | kJ/mol | Eqk | Beak, Bonham, et al., 1968 | liquid phase; Heat of isomerization; ALS |
ΔrH° | -33. ± 9.6 | kJ/mol | Eqk | Beak, Bonham, et al., 1968 | gas phase; Gas phase isomerization; ALS |
ΔrH° | -52. ± 3. | kJ/mol | Eqk | Beak and Bonham, 1966 | liquid phase; At 403 K; ALS |
C6H6NO- + =
By formula: C6H6NO- + H+ = C6H7NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1581. ± 12. | kJ/mol | G+TS | Gronert, Feng, et al., 2000 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1548. ± 11. | kJ/mol | IMRB | Gronert, Feng, et al., 2000 | 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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-3316 |
NIST MS number | 230807 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Beak, Mueller, et al., 1974
Beak, P.; Mueller, D.S.; Lee, J.,
Equilibration studies. Determination of the enthalpy difference between methyltropic isomers from heats of methylation,
J. Am. Chem. Soc., 1974, 96, 3867-3874. [all data]
Beak, Bonham, et al., 1968
Beak, P.; Bonham, J.; Lee, J.T., Jr.,
Equilibration studies. The energy differences for some six-membered heterocyclic methyl amide-imidate isomer paris,
J. Am. Chem. Soc., 1968, 90, 1569-1582. [all data]
Beak and Bonham, 1966
Beak, P.; Bonham, J.,
Equilibration studies: the relative chemical binding energies of 2-methoxypyridine-n-methylpyrid-2-one and 4-methoxypyridine-N-methylpyrid-4-one,
Chem. Commun., 1966, 631-632. [all data]
Gronert, Feng, et al., 2000
Gronert, S.; Feng, W.Y.; Chew, F.; Wu, W.M.,
The gas phase acid/base properties of 1,3,-dimethyluracil, 1-methyl-2-pyridone, and 1-methyl-4-pyridone: relevance to the mechanism of orotidine-5 '-monophosphate decarboxylase,
Int. J. Mass Spectrom., 2000, 196, 251-258, https://doi.org/10.1016/S1387-3806(99)00191-8
. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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