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.
jsc@umsl.edu
Office B435
Phone: (314) 516-5377
Fax: (314) 516-5342
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
"An examination of the thermodynamic fusion, vaporization and sublimation of several parabens by correlation gas chromatography", P. Umnahanant and J. S. Chickos, J. Pharmaceut. Sci. 2011, 100, 1847.
"The joining of measurement and prediction: the enthalpy of formation of 1,4-cubanedicarboxylic", M. V. Roux, G. Martin-Valcarcel, R. Notario, S. Kini, J. S. Chickos and j. F. Liebman, J. Chem. Eng. Data., 2011, 56 1220
"Thermophysical study of several barbituric acid derivatives by differential scanning calorimetry (DSC)," M. Temprado, M. V. Roux, F. Ros, R. Notario, M. Segura and J. S. Chickos, J. Chem. Eng. Data., 2011, 56. 263-268
"Experimental and Theoretical Study of the Structures and Enthalpies of Formation of 3H-1,3-Benzoxazole-2-thione, 3H-1,3-Benzothiazole-2-thione, and Their Tautomers", M. V. Roux, M. Temprado, P. Jimenez, C. Foces-Foces, R. Notario, A. R. Parameswar, A. V.; Demchenko, J. S. Chickos, C. A. Deakyne and J. F. Liebman, J. Phys. Chem. A, 2010, 114, 6336
“Study of the Anomalous Thermochemical Behavior of 1,2-Diazines by Correlation-Gas Chromatography“, D. Lipkind, J. S. Chickos and J. F. Liebman, J. Chem. Eng. Data 2010, 55, 1628.
“Sublimation Vapor Pressures as Evaluated by Correlation-Gas Chromatography“, J. S. Chickos, J. Chem. Eng. Data 2010, 55, 1558.
“Paradigms and paradoxes: properties of ideal gases for large and small species“, J. S. Chickos and J. F. Liebman, Struct. Chem. 2009, 20, 1077.
Total phase change entropies and enthalpies. An update on fusion enthalpies and their estimation“, J. S. and W. E. Acree, Thermochimica Acta, 2009, 495, 5
"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
Access to Course Folders and research publications