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James S. Chickos

James S. Chikos 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.

jsc@umsl.edu
Office   B435
Phone: (314) 516-5377
Fax:      (314) 516-5342

Personal Web site

Research Interests

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.

Selected Publications

"Experimental and Theoretical Study of the Structures and Enthalpies of Formation of the Synthetic Reagents 1,3-Thiazolidine-2-thione and 1,3-Oxazolidine-2-thione", M. V. Roux, M. Temprado, P. Jimenez, C. Foces-Foces, R. Notario, A. R. Parameswar, A. V. Demchenko, J. S. Chickos, C. A. Deakyne, A. K. Ludden and J. F. Liebman, J. Phys. Chem. A 2009, 113, 10772. 

"An examination of the vaporization enthalpies and vapor pressures of pyrazine, pyrimidine, pyridazine, and 1,3,5-triazine" D. Lipkind and J. S. Chickos, Structural Chem. 2009, 20, 49   

"Critically evaluated thermochemical properties of polycyclic aromatic hydrocarbons" M. V. Roux, M. Temprado, J. S. Chickos and Y. Nagano, J. Phys. Chem. Ref. Data 2008, 37, 1855

"Some thermophysical properties of several solid aldehydes" M. Temprado, M. V. Roux and J. S. Chickos, J. Thermal Anal. and Calorimetry, 2008, 94, 257.

"Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C78 to C92 at T = 298.15 K by Correlation-Gas Chromatography" J. S.  Chickos and D. Lipkind, J. Chem. Eng. Data 2008, 53, 2432

"Hypothetical thermodynamic properties. Subcooled vaporization enthalpies and vapor pressures of polyaromatic hydrocarbons" W. Hanshaw, M. Nutt and J. S. Chickos, J. Chem. Eng. Data, 2008, 53,  1903.

"Modeling the physical properties of homologous series on the melting temperatures and densities of n-alkanes and their simple alkyl-derivatives" A. Rubcic, J. Rubcic and J. S. Chickos, e-Polymers 2008 No pp. given. CAN 149:79204

"Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects" H. Zhao, P. Unhannanant, W. Hanshaw and J. S. Chickos,  J. Chem. Eng. Data, 2008, 53, 1545.

"Thermophysical properties in medium temperature range of several thio and dithiocarbamates", M. Temprado, M. V. Roux, A. R. Parameswar, A. V. Demchenko, J. S. Chickos and J. F. Liebman,  J.f Thermal Anal. and Calorimetry  200891, 471. 

"Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number?"   J. S. Chickos, T. Wang and E. Sharma, J. Chem. Eng. Data  2008,  53,  481.

"Calorimetric and Computational Study of Indanones." M. Matos, R. Agostinha M. S. Miranda, M. J. S. Monte, L. M. N. B. F. Santos, V. M. F. Morais, J. S. Chickos, P. Umnahanant, and J. F. Liebman, J. Phys. Chem. A  2007 111,  11153.

"Thermochemistry of 2- and 3-Acetylthiophenes: Calorimetric and Computational Study." M. V. Roux, M. Temprado, P. Jimenez, R. Notario, J. S. Chickos, A. F. L. M. O. Santos and M. A. V. Ribeiro da Silva, . Phys. Chem. A  2007111,  11084. 

"The vaporization enthalpies and vapor pressures of a series of unsaturated fatty acid methyl esters by correlation gas chromatography" D. Lipkind, Y. Kapustin, P. Umnahanant and J. S. Chickos, Thermochimica Acta 2007, 456, 94.

"Experimental and Computational Thermochemical Study of 2- and 3-Thiopheneacetic Acid Methyl Esters" M. V. Roux, M. Temprado, R. Notario, J. S. Chickos, A. F. Santos and M. Ribeiro da Silva, J. Phys. Chem. 2007, 111A, 5280.

"Phase Change Enthalpies and Entropies of Liquid Crystals," W. E. Acree Jr. and J. S. Chickos, J. Phys. Chem. Ref. Data, 2006, 35, 1051.

 

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