- Formula: C7H7NO2
- Molecular weight: 137.1360
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: YNBADRVTZLEFNH-UHFFFAOYSA-N
- CAS Registry Number: 93-60-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 3-Pyridinecarboxylic acid, methyl ester; Nicotinic acid, methyl ester; Methyl 3-pyridinecarboxylate; Nicometh; Nikomet; 3-(Methoxycarbonyl)pyridine; Methyl ester of pyridine-3-carboxylic acid; 3-(Carbomethoxy)pyridine; m-(Methoxycarbonyl)pyridine; NSC 13126; 123574-61-8
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
|Tboil||482.2||K||N/A||Aldrich Chemical Company Inc., 1990||BS|
|Tboil||477.2||K||N/A||Weast and Grasselli, 1989||BS|
|vapH°||61.2 ± 0.2||kJ/mol||N/A||Ribeiro da Silva, Freitas, et al., 2007||Based on data from 298. - 324. K.; AC|
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C7H7NO2+ (ion structure unspecified)
|Proton affinity (review)||925.6||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||893.8||kJ/mol||N/A||Hunter and Lias, 1998||HL|
Ionization energy determinations
|9.25||PE||Dougherty, Younathan, et al., 1978||LLK|
|9.9 ± 0.1||EI||Stefanovic and Grutzmacher, 1974||LLK|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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View image of digitized spectrum (can be printed in landscape orientation).
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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||NIST Mass Spectrometry Data Center|
|NIST MS number||352595|
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Ribeiro da Silva, Freitas, et al., 2007
Ribeiro da Silva, Maria D.M.C.; Freitas, Vera L.S.; Santos, Luís M.N.B.F.; Fulem, Michal; Sottomayor, M.J.; Monte, Manuel J.S.; Acree, W.E., Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers, J. Chem. Eng. Data, 2007, 52, 2, 580-585, https://doi.org/10.1021/je060472e . [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]
Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P., Photoelectron spectroscopy of some biological molecules, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]
Stefanovic and Grutzmacher, 1974
Stefanovic, D.; Grutzmacher, H.F., The ionisation potential of some substituted pyridines, Org. Mass Spectrom., 1974, 9, 1052. [all data]
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point vapH° Enthalpy of vaporization at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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