nicotinonitrile 1-oxide
- Formula: C6H4N2O
- Molecular weight: 120.1088
- IUPAC Standard InChI: InChI=1S/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H
- IUPAC Standard InChIKey: WOOVSQCALYYUDO-UHFFFAOYSA-N
- CAS Registry Number: 14906-64-0
- 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. - Other names: 3-cyanopyridine-N-oxide; 3-Pyridinecarbonitrile, 1-oxide
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Phase change data
Go To: Top, 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 101.9 ± 2.0 | kJ/mol | ME | Ribeiro da Silva, 1998 | Based on data from 345. to 392. K. |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 C6H4N2O+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 879.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 847.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.93 ± 0.02 | PE | Maier and Muller, 1974 | Vertical value; LLK |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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