Pyridine, 4-methyl-, 1-oxide
- Formula: C6H7NO
- Molecular weight: 109.1259
- IUPAC Standard InChIKey: IWYYIZOHWPCALJ-UHFFFAOYSA-N
- CAS Registry Number: 1003-67-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: γ-Picoline N-oxide; 4-Picoline, 1-oxide; γ-Picoline 1-oxide; 4-Methylpyridine N-oxide; 4-Methylpyridine 1-oxide; 4-Picoline N-oxide
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -0.5 ± 2.1 | kJ/mol | Ccb | Lebedev, Chironov, et al., 1995 | |
ΔfH°solid | 12.9 ± 0.9 | kJ/mol | Cm | Airoldi and Goncalves, 1992 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3360.9 ± 2.1 | kJ/mol | Ccb | Lebedev, Chironov, et al., 1995 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 85.3 ± 2.6 | kJ/mol | ME | Ribeiro da Silva, 1998 | Based on data from 345. to 392. K.; AC |
ΔsubH° | 79.1 ± 1.3 | kJ/mol | V | Lebedev, Chironov, et al., 1995 | ALS |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
79.1 ± 1.3 | 316. to 341. | Lebedev, Chironov, et al., 1995, 2 | AC |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H7NO+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.17 | PE | Weiner and Lattman, 1974 | Vertical value |
8.12 ± 0.02 | PE | Maier and Muller, 1974 | Vertical value |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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-1264 |
NIST MS number | 233674 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Lebedev, Chironov, et al., 1995
Lebedev, V.P.; Chironov, V.V.; Kizin, A.N.; Falyahov, I.F.; Saifullin, I.Sh.; Klyuchnikov, O.R.; Orlov, Yu.D.; Lebedev, Yu.A.,
The energies of dissociation of the N-O bonds in pyridine 1-oxide deriveates,
Russ. Chem. Bull. (Engl. Transl.), 1995, 44, 639-641. [all data]
Airoldi and Goncalves, 1992
Airoldi, C.; Goncalves, L.J.,
Standard molar enthalpies of formation of some crystalline amine N-oxides,
Thermochim. Acta, 1992, 194, 259-266. [all data]
Ribeiro da Silva, 1998
Ribeiro da Silva, M.,
Enthalpies of combustion of the pyridine N-oxide derivatives: 4-methyl-, 3-cyano-, 4-cyano-, 3-hydroxy-, 2-carboxy-, 4-carboxy-, and 3-methyl-4-nitro, and of the pyridine derivatives: 2-carboxy-, and 4-carboxy-. The dissociation enthalpies of the N-O bonds,
The Journal of Chemical Thermodynamics, 1998, 30, 7, 869-878, https://doi.org/10.1006/jcht.1998.0353
. [all data]
Lebedev, Chironov, et al., 1995, 2
Lebedev, V.P.; Chironov, V.V.; Kizin, A.N.; Falyakhov, I.F.; Saifullin, I.Sh.; Klyushnikov, O.R.; Orlov, Yu.D.; Lebedev, Yu.A.,
Dissociation energy of the N-O bond in pyridine 1-oxide derivatives,
Izv. Akad. Nauk Ser. Khim., 1995, 4, 660. [all data]
Weiner and Lattman, 1974
Weiner, M.A.; Lattman, M.,
Photoelectron spectra of 4-substituted pyridine N-oxides,
Tetrahedron Lett., 1974, 1709. [all data]
Maier and Muller, 1974
Maier, J.P.; Muller, J.-F.,
Ionisation energies of pyridine N-oxides determined by photoelectron spectroscopy,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1991. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid 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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