3-Pyridinecarbonitrile

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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.

Quantity Value Units Method Reference Comment
Δfgas277.9 ± 2.0kJ/molCcbBickerton, Pilcher, et al., 1984ALS
Δfgas265.4kJ/molN/ASalley and Gray, 1951Value computed using ΔfHsolid° value of 193.3 kj/mol from Salley and Gray, 1951 and ΔsubH° value of 72.1 kj/mol from Bickerton, Pilcher, et al., 1984.; DRB

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid205.8 ± 0.9kJ/molCcbBickerton, Pilcher, et al., 1984 
Δfsolid193.3kJ/molCcbSalley and Gray, 1951correction of Salley and Gray, 1948
Quantity Value Units Method Reference Comment
Δcsolid-3138.5 ± 0.5kJ/molCcbBickerton, Pilcher, et al., 1984 
Δcsolid-3126.0kJ/molCcbSalley and Gray, 1951correction of Salley and Gray, 1948

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

Quantity Value Units Method Reference Comment
Tboil474.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil515.7KN/AWeast and Grasselli, 1989BS
Tboil473. - 475.KN/AFrinton Laboratories Inc., 1986BS
Tboil479.85KN/AEzhov, Golovko, et al., 1976Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tfus323.15KN/AEzhov, Golovko, et al., 1976Uncertainty assigned by TRC = 1. K; TRC
Tfus323.65KN/AWaclawek and Hurwic, 1967Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δsub72.1 ± 1.8kJ/molCBickerton, Pilcher, et al., 1984ALS
Δsub72.1kJ/molN/ABickerton, Pilcher, et al., 1984DRB
Δsub72.1 ± 1.8kJ/molCBickerton, Pilcher, et al., 1984AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
45.466.AStephenson and Malanowski, 1987Based on data from 453. - 479. K. See also Dykyj, 1972.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics 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 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

Quantity Value Units Method Reference Comment
Proton affinity (review)877.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity845.1kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.4 ± 0.1EIStefanovic and Grutzmacher, 1974LLK
10.37PERamsey and Walker, 1974Vertical value; LLK
10.10PEKobayashi and Nagakura, 1974Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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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Mass 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-8720
NIST MS number 230614

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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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1965
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19998
Instrument unknown
Melting point 49

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.

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]

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]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Ezhov, Golovko, et al., 1976
Ezhov, V.S.; Golovko, S.N.; Guseinov, E.M., Determination of the equilibrium characteristics of vapor-liquid and liquid-liquid systems applicable to products of the oxidative ammonolysis of toluene and alpha- and beta-picolines, Khim.-Farm. Zh., 1976, 10, 10, 77. [all data]

Waclawek and Hurwic, 1967
Waclawek, Z.; Hurwic, J., Dipole moment and spectroscopic studies of the 1,3,5-trinitrobenzene complexes with some pyridine derivatives in nonpolar solvents, Rocz. Chem., 1967, 41, 1993. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [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]

Stefanovic and Grutzmacher, 1974
Stefanovic, D.; Grutzmacher, H.F., The ionisation potential of some substituted pyridines, Org. Mass Spectrom., 1974, 9, 1052. [all data]

Ramsey and Walker, 1974
Ramsey, B.G.; Walker, F.A., A linear relationship between substituted pyridine lone pair vertical ionization potentials and pKa, J. Am. Chem. Soc., 1974, 96, 3314. [all data]

Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S., Photoelectron spectra of aminopyridines and cyanopyridines, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 207. [all data]

Lang (editor), 1965
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1965, 6, 229. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References