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Niacinamide

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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
Deltafsolid-134.9 ± 1.7kJ/molCcbRyskalieva, Erkasov, et al., 1993 
Quantity Value Units Method Reference Comment
Deltacsolid-3083.8 ± 1.7kJ/molCcbRyskalieva, Erkasov, et al., 1993 

Phase change data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus401.95KN/AMalaviolle, De Maury, et al., 1987Uncertainty assigned by TRC = 0.5 K; determined for various conditions and heating rates; TRC
Tfus402.KN/AGrady, Hays, et al., 1973Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltasub121.2 ± 3.3kJ/molCRibeiro da Silva, Gonçalves, et al., 2001AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
111.8378.MEStephenson and Malanowski, 1987Based on data from 363. - 393. K. See also Negoro, Miki, et al., 1960 and Harutada, 1959.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
23.8403.8DSCGood and Rodriguez-Hornedo, 2009AC
25.5401.6DSCNicoli, Bilzi, et al., 2008AC
26.94402.N/ANegoro, Miki, et al., 1960, 2AC

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 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)918.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity886.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.18PEDougherty, Younathan, et al., 1978LLK

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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: 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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290943

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.


UV/Visible spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, 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 Bartecki, Szoke, et al., 1966
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. 8658
Instrument Beckman DU
Melting point 130
Boiling point 157(0.0005)

Gas Chromatography

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51426.Premecz and Ford, 1987He, 60. C @ 10. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.32 mm

References

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

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

Ryskalieva, Erkasov, et al., 1993
Ryskalieva, A.K.; Erkasov, R.S.; Abramova, G.V.; Nurakhmetov, N.N., Enthalpies of combustion of nicotinamide and its nitrate, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1993, 36, 112-114. [all data]

Malaviolle, De Maury, et al., 1987
Malaviolle, R.; De Maury, G.; Chauvet, A.; Terol, A.; Masse, J., Study of the Binaries Khelline I - Nicotinic Acid and Khelline I - Nicotinamide, Thermochim. Acta, 1987, 121, 283. [all data]

Grady, Hays, et al., 1973
Grady, L.T.; Hays, S.E.; King, R.H.; Klein, H.R.; Mader, W.J.; Wyatt, D.K.; Zimmere, R.O., Drug purity profiles, J. Pharm. Sci., 1973, 62, 459. [all data]

Ribeiro da Silva, Gonçalves, et al., 2001
Ribeiro da Silva, Maria D.M.C.; Gonçalves, Jorge M.; Ferreira, Susana C.C.; da Silva, Luís C.M.; Sottomayor, M.J.; Pilcher, G.; Acree Jr, William E.; Roy, Lindsay E., Experimental thermochemical study of the enthalpies of formation and sublimation of isonicotinamide, picolinamide, nicotinamide, isonicotinamideN-oxide, and nicotinamideN-oxide. The dissociation enthalpies of the N--O bonds, The Journal of Chemical Thermodynamics, 2001, 33, 10, 1263-1275, https://doi.org/10.1006/jcht.2001.0839 . [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]

Negoro, Miki, et al., 1960
Negoro, H.; Miki, T.; Ueda, S., Yakugaku Zasshi, 1960, 80, 665. [all data]

Harutada, 1959
Harutada, N., Takamine Kenkyusho Nempo, 1959, 11, 66. [all data]

Good and Rodriguez-Hornedo, 2009
Good, David J.; Rodriguez-Hornedo, Nair, Solubility Advantage of Pharmaceutical Cocrystals, Crystal Growth & Design, 2009, 9, 5, 2252-2264, https://doi.org/10.1021/cg801039j . [all data]

Nicoli, Bilzi, et al., 2008
Nicoli, S.; Bilzi, S.; Santi, P.; Caira, M.R.; Li, J.; Bettini, R., Ethyl-paraben and nicotinamide mixtures: Apparent solubility, thermal behavior and X-ray structure of the 1:1 co-crystal, J. Pharm. Sci., 2008, 97, 11, 4830-4839, https://doi.org/10.1002/jps.21341 . [all data]

Negoro, Miki, et al., 1960, 2
Negoro, H.; Miki, T.; Ueda, S.; Sanada, T.; Okada, R., Yakugaku Zasshi, 1960, 80, 670. [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]

Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P., Photoelectron spectroscopy of some biological molecules, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]

Bartecki, Szoke, et al., 1966
Bartecki, A.; Szoke, J.; Varsanyi, G.; Vizesy, M., Absorption spectra in the ultraviolet and visible region. Volume 3, Academic Press, New York, 1966, 280. [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]


Notes

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