James S. Chickos
Professor Chickos has been a member of the UM-St. Louis faculty since 1969. He received his undergraduate degree from the State University of New York-Buffalo, and his Ph.D. from Cornell University. He was an NIH Postdoctoral Fellow at Princeton University and the University of Wisconsin.
Phone: (314) 516-5377
Fax: (314) 516-5342
Personal Web site
All scientific endeavors are dependent on the availability of reliable thermodynamic and physical property data. These data form the foundations on which our current understanding of the physical world is based. The measurement and collection of such data are a fundamental scientific task, common to all who practice the discipline.
We have had an interest in developing simple algorithms to model some of these physical properties. The purpose for doing so is to provide data in the absence of experiment and to provide a basis for the selection of a particular measurement in the presence of two or more discordant values. In addition, the process of distilling these physical data using these algorithms can sometimes produce parameters that can be used to evaluate molecular properties that cannot be measured directly.
Simple models have been developed to estimate condensed phase properties such as vaporization enthalpies, heat capacities, fusion entropies and enthalpies, vapor pressures and sublimation enthalpies of small molecules. Recently, the parameters generated by these algorithms have also been used in estimating fusion enthalpies of polymers and conformational entropy changes in globular proteins.
The development of models to mimic physical properties requires extensive databases and a constant updating of these databases. As a result, we have developed a collaborative interaction with the National Institutes of Standards and Technology in Washington DC in which physical property data flow freely in both directions. We currently supply NIST with sublimation enthalpies of organic compounds.
Coupled with our interest to develop models for such properties is the need to obtain experimental data. A variety of physical properties are measured in our research laboratories that include measurements of vaporization, sublimation and fusion enthalpies. We are also examining new simpler methods of making these measurements. One such process recently developed, correlation gas chromatography, affords the vaporization enthalpy of a solid or liquids at 298 K by simply using retention time measurements of knowns and unknowns.
"Thermochemical and structural study of a dibenzocycloheptane cyanoenamine," S. Perisanu, I. Contineanu, A. Neacsu, N. P. Rath, J. S. Chickos, R. Notario and J. F. Liebman. Struct. Chem., 2013, Ahead of Print
"Some thermodynamic properties of benzocaine," C. Gobble, A. Gutterman and J. S. Chickos, Struct. Chem., 2013, Ahead of Print.
"Vapor Pressures, Vaporization, Sublimation and Fusion Enthalpies of Some Fatty Acids," J. A. Wilson and J. S. Chickos, J. Chem. Eng. Data. 2013, 58, 322
"Thermochemistry of Uracils. Experimental and Computational Enthalpies of Formation of 5,6-Dimethyl-1,3,5-Trimethyl-, and 1,3,5,6-Tetramethyluracils," R. Notario, V. N. Emel´yanenko, M. V. Roux, F. Ros, S. P. J. S. Chickos and J. F. Liebman, J. Phys. Chem. A 2013, 117, 244.
"An Examination of the Thermodynamics of Fusion, Vaporization and Sublimation of Ibuprofen and Naproxen by Correlation Gas Chromatography," R. Maxwell and J. S. Chickos, J. Pharm. Sci. 2012 101, 805.
"An examination of the thermodynamics of fusion, vaporization and sublimation of (R,S) and (R)-flurbiprofen by correlation gas chromotography," P. Umnahanant and J. S. Chickos, J. Pharm. Sci. 2012, 101, 2045
"Rediscovering the Wheel. Thermochemical Analysis of Energetics of the Aromatic Diazines," S. P. Verevkin, V. N. Emel’yanenko, R. Notario, J. S. Chickos and J. F. Liebman, J. Phys. Chem. Lett. 2012, 3, 3454
"Vaporization and Sublimation Enthalpies of Acetanilide and Several Derivatives by Correlation Gas Chromatography," P. Umnahanant and J. S. Chickos, J. Chem. Eng. Data 2012, 57, 1331
"Vaporization Enthalpy and Vapor Pressure of Valproic Acid by Correlation Gas Chromatography," J. A. Wilson and J. S. Chickos, J. Chem. Eng. Data, 2012, 57 2281
"The enthalpy of formation of a methionine revisited," M. R. Roux, R. Notario, M. Segura, J. S. Chickos and J. F. Liebman, J. Phys. Org. Chem. 2012, 25, 916
"Thermophysical Study of 2-Thiobarbituric Acids by Differential Scanning Calorimetry," M. R. Roux, R. Notario, M. Segura and J. S. Chickos, J. Chem. Eng. Data 2012, 57, 249
"Thermophysical Study of Several a- and b-Amino Acid Derivatives by Differential Scanning Calorimetry," M. R. Roux, R. Notario, M. Segura, R. Guzman-Mejia, E. Juaristi and J. S. Chickos; J. Chem. Eng. Data. 2011, 56, 3807.
"Knowledge of a Molecule: An Experimental and theoretical Study of the Strcuture and Enthanlpy of Formation of Tetrahydro-2H-1,3-oxazine-2-thione," M. V. Roux, M. Temprado, P. Jimenez, R. Notario, A. R. Parameswar, A. V.; Demchenko, J. S. Chickos, C. A. Deakyne and J. F. Liebman, J. Chem. Eng. Data. 2011, 56, 4725.
"The Vaporization enthalpies of 2- and 4-(N,N-Dimethylamino)pyridine, 1,5-Diazabicyclo[4.3.0]non-5-ene, 1,5-Diazabicyclo[5.4.0]undec-7-ene, Imidazo[1,2-a]pyridine and 1,2,4-Triazolo[1,5-a]pyrimidine by Correlation Gas Chromatography," D. Lipkind, N. P. Rath, J. S. Chickos, V. A. Pozdeev and S. P. Verevkin, J. Phys. Chem. B 2011, 115, 8785.
"An examination of the thermodynamic fusion, vaporization and sublimation of several parabens by correlation gas chromatography", P. Umnahanant and J. S. Chickos, J. Pharm. Sci. 2011, 100, 1847.
Access to Course Folders and research publications