Pyridine, 4-nitro-, 1-oxide

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

Quantity Value Units Method Reference Comment
Δfgas126.0 ± 0.9kJ/molCcbAcree, Tucker, et al., 1995 

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
Δfsolid17.1 ± 0.8kJ/molCcbAcree, Tucker, et al., 1995 
Δfsolid11.7 ± 1.7kJ/molCcbLebedev, Chironov, et al., 1995 
Quantity Value Units Method Reference Comment
Δcsolid-2556.3 ± 0.5kJ/molCcbAcree, Tucker, et al., 1995 
Δcsolid-2551.0 ± 1.7kJ/molCcbLebedev, Chironov, et al., 1995 

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub108.9 ± 0.3kJ/molVAcree, Tucker, et al., 1995ALS
Δsub108.9 ± 0.3kJ/molCAcree Jr., 1995AC
Δsub89.1 ± 2.5kJ/molVLebedev, Chironov, et al., 1995ALS

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Reference Comment
89.1 ± 2.5311. - 335.Lebedev, Chironov, et al., 1995, 2AC

IR 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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin SOUTHERN RESEARCH INSTITUTE
Source reference COBLENTZ NO. 6860
Date 1965/01/20
Name(s) 4-nitropyridine 1-oxide
State SOLID (1 mg / 650 mg KBr DISC)
Instrument PERKIN-ELMER 521 (GRATING)
Instrument parameters FILTERS AT 3150, 2500, 2000, 1150, 700, 410, AND GRATING CHANGES: 2000, 630 CM-1
Path length
SPECTRAL CONTAMINATION DUE TO H2O AROUND 3450 CM-1
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 292083

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.

Acree, Tucker, et al., 1995
Acree, W.E., Jr.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Goncalves, J.M.; Ribeiro da Silva, M.A.V.; Pilcher, G., Enthalpies of combustion of 4-nitropyridine N-oxide and pyridine-3-carboxylic acid N-oxide: the dissociation enthalpies of the N-O bonds in pyridine N-oxide derivatives, J. Chem. Thermodyn., 1995, 27, 391-398. [all data]

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]

Acree Jr., 1995
Acree Jr., Enthalpies of combustion of 4-nitropyridineN-oxide and pyridine-3-carboxylic acidN-oxide: the dissociation enthalpies of the N---O bonds in pyridineN-oxide derivatives, The Journal of Chemical Thermodynamics, 1995, 27, 4, 391-398, https://doi.org/10.1006/jcht.1995.0038 . [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]


Notes

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