3-Pyridinecarbonitrile
- Formula: C6H4N2
- Molecular weight: 104.1094
- IUPAC Standard InChI: InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
- IUPAC Standard InChIKey: GZPHSAQLYPIAIN-UHFFFAOYSA-N
- CAS Registry Number: 100-54-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Nicotinonitrile; Nicotinic acid nitrile; 3-Cyanopyridine; 3-Pyridylcarbonitrile; 3-Pyridinenitrile; 3-Azabenzonitrile; 3-Cyjanopirydyna; Nitryl kwasu nikotynowego; 3-Pyridyl cyanide; Pyridine-3-carbonitrile; NSC 17558
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Gas Chromatography, 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 | 49.2 ± 0.2 | kcal/mol | Ccb | Bickerton, Pilcher, et al., 1984 | |
| ΔfH°solid | 46.19 | kcal/mol | Ccb | Salley and Gray, 1951 | correction of Salley and Gray, 1948 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -750.1 ± 0.1 | kcal/mol | Ccb | Bickerton, Pilcher, et al., 1984 | |
| ΔcH°solid | -747.14 | kcal/mol | Ccb | Salley and Gray, 1951 | correction of Salley and Gray, 1948 |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1007. | Premecz and Ford, 1987 | He, 60. C @ 10. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1012.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1875. | Shimoda, Shiratsuchi, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1012.0 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bickerton, Pilcher, et al., 1984
Bickerton, J.; Pilcher, G.; Al-Takhin, G.,
Enthalpies of combustion of the three aminopyridines and the three cyanopyridines,
J. Chem. Thermodyn., 1984, 16, 373-378. [all data]
Salley and Gray, 1951
Salley, D.J.; Gray, J.B.,
Heats of combustion of some organic nitrogen compounds,
J. Am. Chem. Soc., 1951, 73, 5925. [all data]
Salley and Gray, 1948
Salley, D.J.; Gray, J.B.,
Heats of combustion of some organic nitrogen compounds,
J. Am. Chem. Soc., 1948, 70, 2650-2653. [all data]
Premecz and Ford, 1987
Premecz, J.E.; Ford, M.E.,
Gas chromatographic separation of substituted pyridines,
J. Chromatogr., 1987, 388, 23-35, https://doi.org/10.1016/S0021-9673(01)94463-2
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y.,
Identification and sensory characterization of volatile flavor compounds in sesame seed oil,
J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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