2(1H)-Pyridinone, 1-methyl-

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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 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
523.20.987Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
60.2368.AStephenson and Malanowski, 1987Based on data from 353. to 399. K.; AC

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 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

Pyridine, 2-methoxy- = 2(1H)-Pyridinone, 1-methyl-

By formula: C6H7NO = C6H7NO

Quantity Value Units Method Reference Comment
Δr-57.3 ± 4.6kJ/molCisoBeak, Mueller, et al., 1974liquid phase; solvent: 1,2-Dichloroethane; #LED; ALS
Δr-39. ± 5.9kJ/molCisoBeak, Mueller, et al., 1974gas phase; Hr gas phase; ALS
Δr-52. ± 3.kJ/molEqkBeak, Bonham, et al., 1968liquid phase; Heat of isomerization; ALS
Δr-33. ± 9.6kJ/molEqkBeak, Bonham, et al., 1968gas phase; Gas phase isomerization; ALS
Δr-52. ± 3.kJ/molEqkBeak and Bonham, 1966liquid phase; At 403 K; ALS

C6H6NO- + Hydrogen cation = 2(1H)-Pyridinone, 1-methyl-

By formula: C6H6NO- + H+ = C6H7NO

Quantity Value Units Method Reference Comment
Δr1581. ± 12.kJ/molG+TSGronert, Feng, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr1548. ± 11.kJ/molIMRBGronert, Feng, et al., 2000gas 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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Mass 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-3316
NIST MS number 230807

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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

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