Christopher D. Spilling, Chairman
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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.
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.
″Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography″, M. Kozlovskiy, C. Gobble and J. S. Chickos, J. Chem. Thermodyn. 2015, 86, 65
″Vaporization, Sublimation, and Fusion Enthalpies of Some Saturated and Unsaturated Long chain Fatty Acids by correlation gas chromatography″, J. Wilson, C. Gobble and J. S. Chickos, J. Chem. Eng. Data 2015, 60, 202.
″The influence of the hydroxy and methoxy functional groups on the energetic and structural properties of naphthaldehyde as evaluated by both experimental and computational methods″, L. M. P. F. Amaral, V. L. S. Freitas, J. F. R. Goncalves, M. Barbosa, J. S. Chickos and M. D. M. C.Ribeiro, Struct. Chem. 2015, 26, 137
″The enthalpy of formation of selenocysteine: A G3 and G4 quantum chemical study″, R. Notario, J. S. Chickos and J. F. Liebman, J. Chem. Thermodyn. 2014, 73, 134
"Evaluation of the vaporization enthalpies and liquid vapor pressures of (R)-deprenyl, (S)-benzphetamine, alverine, and a series of aliphatic tertiary amines by correlation gas chromatography at T /K = 298.15″, C. Gobble, J. Vikman and J. S. Chickos, J. Chem. Eng. Data. 2014, 59, 2551
″Vapor pressures and vaporization enthalpies of a series of dialkyl phthalates by correlation gas chromatography″, C. Gobble, J. S. Chickos and S. P. Vererkin, J. Chem. Eng. Data. 2014, 59, 1353.
″Feeling and investigating blue: On the enthalpy of formation of indigo″, M. S. Miranda, J. S. Chickos, J. C. G. Esteves Da Silva and J. F. Liebman, J. Chem. Thermodynamics, 2014, 73, 69.
"Vapor Pressures and Vaporization Enthalpies of a series of c- and d-lactones by correlation gas chromatogrhaphy", M. Kozlovskiy, C. Gobble and J. S. Chickos, J. Chem. Thermodynamics 2014, 73, 262
"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, 24, 1975
"Some thermodynamic properties of benzocaine," C. Gobble, A. Gutterman and J. S. Chickos, Struct. Chem., 2013, 24, 1903.
"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
″Thermophysical study of 2-thiobarbituric acids by differential scanning calorimetry″, M. V. Roux, R. Notario, M. Segura and J. S. Chickos, , J. Chem. Eng. Data 2012, 57, 249