Pyridine

• Formula: C₅H₅N
• Molecular weight: 79.0999
• IUPAC Standard InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H Copy

  
• IUPAC Standard InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N Copy
• CAS Registry Number: 110-86-1
• 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.
• Isotopologues:
  • Pyridine-D5-
• Other names: Azabenzene; Azine; NCI-C55301; Piridina; Pirydyna; Pyridin; Rcra waste number U196; UN 1282; Pyr; CP 32; NSC 406123
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Ion clustering data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase 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
DRB - Donald R. Burgess, Jr.

Condensed phase 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Enthalpy of fusion

Entropy of fusion

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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C₅H₄N^- +  =

By formula: C₅H₄N^- + H⁺ = C₅H₅N

C₅H₆N⁺ +  = (C₅H₆N⁺ • )

By formula: C₅H₆N⁺ + C₅H₅N = (C₅H₆N⁺ • C₅H₅N)

 + 3 =

By formula: C₅H₅N + 3H₂ = C₅H₁₁N

 +  = ( • )

By formula: Cl^- + C₅H₅N = (Cl^- • C₅H₅N)

(C₅H₆N⁺ • 2) +  = (C₅H₆N⁺ • 3)

By formula: (C₅H₆N⁺ • 2C₅H₅N) + C₅H₅N = (C₅H₆N⁺ • 3C₅H₅N)

 +  = ( • )

By formula: Li⁺ + C₅H₅N = (Li⁺ • C₅H₅N)

 +  = ( • )

By formula: K⁺ + C₅H₅N = (K⁺ • C₅H₅N)

( • 2) +  = ( • 3)

By formula: (Ag⁺ • 2C₅H₅N) + C₅H₅N = (Ag⁺ • 3C₅H₅N)

( • 3) +  = ( • 4)

By formula: (Ag⁺ • 3C₅H₅N) + C₅H₅N = (Ag⁺ • 4C₅H₅N)

( • ) +  = ( • 2)

By formula: (Cl^- • C₅H₅N) + C₅H₅N = (Cl^- • 2C₅H₅N)

(C₅H₆N⁺ • ) +  = (C₅H₆N⁺ • 2)

By formula: (C₅H₆N⁺ • C₅H₅N) + C₅H₅N = (C₅H₆N⁺ • 2C₅H₅N)

H₂O₃^- +  +  = C₅H₇NO₃^-

By formula: H₂O₃^- + C₅H₅N + H₂O = C₅H₇NO₃^-

 +  = C₅H₅NO₂^-

By formula: O₂^- + C₅H₅N = C₅H₅NO₂^-

 +  = C₅H₅N₂O^-

By formula: NO^- + C₅H₅N = C₅H₅N₂O^-

3 +  = 3 + KClO₃

By formula: 3C₅H₅NO + ClK = 3C₅H₅N + KClO₃

3 +  = 3 + KBrO₃

By formula: 3C₅H₅NO + BrK = 3C₅H₅N + KBrO₃

 +  = ( • )

By formula: Fe⁺ + C₅H₅N = (Fe⁺ • C₅H₅N)

 +  = ( • )

By formula: Cr⁺ + C₅H₅N = (Cr⁺ • C₅H₅N)

 +  = ( • )

By formula: Ti⁺ + C₅H₅N = (Ti⁺ • C₅H₅N)

 +  = ( • )

By formula: Mn⁺ + C₅H₅N = (Mn⁺ • C₅H₅N)

 +  = ( • )

By formula: Sc⁺ + C₅H₅N = (Sc⁺ • C₅H₅N)

 +  = ( • )

By formula: Mg⁺ + C₅H₅N = (Mg⁺ • C₅H₅N)

 +  = ( • )

By formula: V⁺ + C₅H₅N = (V⁺ • C₅H₅N)

 +  = ( • )

By formula: Ni⁺ + C₅H₅N = (Ni⁺ • C₅H₅N)

 +  = ( • )

By formula: Al⁺ + C₅H₅N = (Al⁺ • C₅H₅N)

 +  = ( • )

By formula: Zn⁺ + C₅H₅N = (Zn⁺ • C₅H₅N)

 +  = ( • )

By formula: Co⁺ + C₅H₅N = (Co⁺ • C₅H₅N)

 +  = ( • )

By formula: Cu⁺ + C₅H₅N = (Cu⁺ • C₅H₅N)

 +  = ( • )

By formula: Na⁺ + C₅H₅N = (Na⁺ • C₅H₅N)

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (15 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution
• SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, 10% IN CCl4 FOR 650-250 CM^-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution
• VAPOR (0.5 MICROLITER AT 150 C); NICOLET FTIR; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 CM^-1 cm^-1 resolution

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

• liquid; Bruker Tensor 27 FTIR; 0.4821395 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

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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Additional Data

UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hubbard, Frow, et al., 1961
Hubbard, W.N.; Frow, F.R.; Waddington, G., The heats of combustion and formation of pyridine and hippuric acid, J. Phys. Chem., 1961, 65, 1326-1328. [all data]

Andon, Cox, et al., 1957
Andon, R.J.L.; Cox, J.D.; Herington, E.F.G.; Martin, J.F., The second virial coefficients of pyridine and benzene, and certain of their methyl homologues, Trans. Faraday Soc., 1957, 53, 1074. [all data]

Cox, Challoner, et al., 1954
Cox, J.D.; Challoner, A.R.; Meetham, A.R., The heats of combustion of pyridine and certain of its derivatives, J. Chem. Soc., 1954, 265-271. [all data]

Constam and White, 1903
Constam, E.J.; White, J., Physico-chemical investigations in the pyridine series, Am. Chem. J., 1903, 29, 1-49. [all data]

Strepikheev, Baranov, et al., 1962
Strepikheev, Yu.A.; Baranov, Yu.I.; Burmistrova, O.A., Determination of the heats of combustion and the heat capacities of several mono- and di-isocyanates, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1962, 5, 387-390. [all data]

McCullough, Douslin, et al., 1957
McCullough, J.P.; Douslin, D.R.; Messerly, J.F.; Hossenlopp, I.A.; Kincheloe, T.C.; Waddington, G., Pyridine: experimental and calculated chemical thermodynamic properties between 0 and 1500 K., a revised vibrational assignment, J. Am. Chem. Soc., 1957, 79, 4289-4295. [all data]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A., Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds, J. Am. Chem. Soc., 1936, 58, 398-401. [all data]

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Pearce, J.N.; Bakke, H.M., The heat capacity and the free energy of formation of pyridine, Proc. Iowa Acad. Sci., 1936, 43, 171-174. [all data]

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Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Swietoslawski and Zielenkiewicz, 1958
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Radulescu and Jula, 1934
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Swietoslawski, Tybicka, et al., 1931
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Swietoslawski, Tybicka, et al., 1931, 2
Swietoslawski, W.; Tybicka, S.; Solodkowska, W., Sur un microcalorimetre adiabatique, adapte aux mesures de la chaleur specifique de substances solides et liquides, Rocz. Chem., 1931, 11, 65-77. [all data]

Mathews, Krause, et al., 1917
Mathews, J.H.; Krause, E.L.; Bohnson, B.L., a contribution to the thermal chemistry of pyridine, J. Am. Chem. Soc., 1917, 39, 398-413. [all data]

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Bramley, A., The study of binary mixtures. Part IV. Heats of reaction and specific heats, J. Chem. Soc. (London), 1916, 109, 496-515. [all data]

Helm, Lanum, et al., 1958
Helm, R.V.; Lanum, W.J.; Cook, G.L.; Ball, J.S., Purification and Properties of Pyrrole, Pyrrolidine, Pyridine and 2-Methylpyridine, J. Phys. Chem., 1958, 62, 858. [all data]

McCullough, Douslin, et al., 1957, 2
McCullough, J.P.; Douslin, D.R.; Messerly, J.F.; Hossenlopp, I.A.; Kincheloe, T.C.; Waddington, G., Pyridine: Experimental and Calculated Chemical Thermodynamic Prop- erties Between 0 and 1500 K; A Revised Vibrational Assignment, J. Am. Chem. Soc., 1957, 79, 4289. [all data]

Brunner, 1987
Brunner, E., Fluid mixtures at high pressures VI. Phase separation and critical phenomina in 18 binary mixtures containing either pyridine or ethanoic acid, J. Chem. Thermodyn., 1987, 19, 823. [all data]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [all data]

Herz and Neukirch, 1923
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Majer and Svoboda, 1985
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Ukraintseva, Soldatov, et al., 1997
Ukraintseva, E.A.; Soldatov, D.V.; Dyadin, Yu.A., Pyridine vapor pressure and thermodynamic parameters of clathrate and complex formation in the pyridine-zinc nitrate system, Zh. Neorg. Khim., 1997, 42, 2, 283. [all data]

Blanco, Beltran, et al., 1994
Blanco, Beatriz; Beltran, Sagrario; Cabezas, Jose Luis; Coca, Jose, Vapor-liquid equilibria of coal-derived liquids. 3. Binary systems with tetralin at 200 mm mercury, J. Chem. Eng. Data, 1994, 39, 1, 23-26, https://doi.org/10.1021/je00013a007 . [all data]

Lencka, 1990
Lencka, Malgorzata, Measurements of the vapour pressures of pyridine, 2-methylpyridine, 2,4-dimethylpyridine, 2,6-dimethylpyridine, and 2,4,6-trimethylpyridine from 0.1 kPa to atmospheric pressure using a modified Swietoslawski ebulliometer, The Journal of Chemical Thermodynamics, 1990, 22, 5, 473-480, https://doi.org/10.1016/0021-9614(90)90139-H . [all data]

Stephenson and Malanowski, 1987
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Michou-Saucet, Marie-Annie; Jose, Jacques; Michou-Saucet, Christian, Equilibre liquide-vapeur isotherme des systemes pyridine-n-hexane et pyridine-n-heptane, Thermochimica Acta, 1986, 102, 271-279, https://doi.org/10.1016/0040-6031(86)85335-7 . [all data]

Majer, Svoboda, et al., 1984
Majer, V.; Svoboda, V.; Lencka, M., Enthalpies of vaporization and cohesive energies of pyridine and isomeric methylpyridines, J. Chem. Thermodyn., 1984, 16, 1019-1024. [all data]

Herington and Martin, 1953
Herington, E.F.G.; Martin, J.F., Vapour pressures of pyridine and its homologues, Trans. Faraday Soc., 1953, 49, 154, https://doi.org/10.1039/tf9534900154 . [all data]

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Meulen, P.A. van der.; Mann, Russell F., THE VAPOR PRESSURE OF PYRIDINE, J. Am. Chem. Soc., 1931, 53, 2, 451-453, https://doi.org/10.1021/ja01353a006 . [all data]

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Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Schafman and Wenthold, 2007
Schafman, B.S.; Wenthold, P.G., Regioselectivity of pyridine deprotonation in the gas phase, J. Org. Chem., 2007, 72, 5, 1645-1651, https://doi.org/10.1021/jo062117x . [all data]

Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A., Carbon Acidities of Aromatic Compounds, J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003 . [all data]

Kiefer, Zhang, et al., 1997
Kiefer, J.H.; Zhang, Q.; Kern, R.D.; Yao, J.; Jursic, B., Pyrolysis of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine, J. Phys. Chem. A, 1997, 101, 38, 7061, https://doi.org/10.1021/jp970211z . [all data]

DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]

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Meot-Ner M.; Sieck, L.W., The Ionic Hydrogen Bond. 1. Sterically Hindered Bonds. Solvation and Clustering of Sterically Hindered Amines and Pyridines, J. Am. Chem. Soc., 1983, 105, 10, 2956, https://doi.org/10.1021/ja00348a005 . [all data]

Holland and Castleman, 1982
Holland, P.M.; Castleman, A.W., The Thermochemical Properties of Gas - Phase Transition Metal Ion Complexes, J. Chem. Phys., 1982, 76, 8, 4195, https://doi.org/10.1063/1.443497 . [all data]

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Meot-Ner (Mautner), M., Ion Thermochemistry of Low Volatility Compounds in the Gas Phase. II. Intrinsic Basicities and Hydrogen Bonded Dimers of Nitrogen Heterocyclics and Nucleic Bases, J. Am. Chem. Soc., 1979, 101, 9, 2396, https://doi.org/10.1021/ja00503a027 . [all data]

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Hales, J.L.; Herington, E.F.G., Equilibrium between pyridine and piperidine, Trans. Faraday Soc., 1957, 53, 616-622. [all data]

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Burrows, G.H.; King, L.A., Jr., The free energy change that accompanies hydrogenation of pyridine to piperidine, J. Am. Chem. Soc., 1935, 57, 1789-1791. [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Determination of the Stabilities and Structures of X-(C6H6) Clusters (X = Cl, Br, and I), Chem. Phys. Lett., 1988, 147, 2-3, 174, https://doi.org/10.1016/0009-2614(88)85078-4 . [all data]

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Amunugama, R.; Rodgers, M.T., Absolute Alkali Metal Ion Binding Affinities of Several Azines Determined by Threshold Collision-Induced Dissociation and Ab Initio Theory, Int. J. Mass Spectrom., 2000, 195/196, 439, https://doi.org/10.1016/S1387-3806(99)00145-1 . [all data]

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Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

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Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

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Davidson, W.R.; Kebarle, P., Binding Energies and Stabilities of Potassium Ion Complexes from Studies of Gas Phase Ion Equilibria K+ + M = K+.M, J. Am. Chem. Soc., 1976, 98, 20, 6133, https://doi.org/10.1021/ja00436a011 . [all data]

Le Barbu, Schiedt, et al., 2002
Le Barbu, K.; Schiedt, J.; Weinkauf, R.; Schlag, E.W.; Nilles, J.M.; Xu, S.J.; Thomas, O.C.; Bowen, K.H., Microsolvation of small anions by aromatic molecules: An exploratory study, J. Chem. Phys., 2002, 116, 22, 9663-9671, https://doi.org/10.1063/1.1475750 . [all data]

Shaofeng and Pilcher, 1988
Shaofeng, L.; Pilcher, G., Enthalpy of formation of pyridine-N-oxide: the dissociation enthalpy of the (N-O) bond, J. Chem. Thermodyn., 1988, 20, 463-465. [all data]

Rodgers, Stanley, et al., 2000
Rodgers, M.T.; Stanley, J.R.; Amunugama, R., Periodic Trends in the Binding of Metal Ions to Pyridine Studied by Threshold Collision-Induced Dissociation and Density Functional Theory, J. Am. Chem. Soc., 2000, 122, 44, 10969, https://doi.org/10.1021/ja0027923 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Pc	Critical pressure
  S°liquid	Entropy of liquid at standard conditions
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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