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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
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:


Go To: Top, Phase change data, Notes

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

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]


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