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
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
"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, Journal of Thermal Analysis and Calorimetry 2008, 91, 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, Journal of Chemical & Engineering 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, Journal of Physical Chemistry 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, Journal of Physical Chemistry A 2007, 111, 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.
"The structure and thermochemistry of 3:4,5:6-dibenzo-2-hydroxymethylene-cyclohepta-3,5-dienenone (1) and some related compounds" S. Perisanu, J. Contineanu, M. Banciu, D. Mircea H. Zhao, N. P. Rath and J. S. Chickos, Struct. Chem. 2006, 17, 639.
"Phase Change Enthalpies and Entropies of Liquid Crystals," W. E. Acree Jr. and J. S. Chickos, J. Phys. Chem. Ref. Data, 2006, 35, 1051.
"Comment on "Prediction of Vapor Pressures of Solid Organic Compounds with a Group-Contribution Method," W. E. Acree and Jr., J. S. Chickos, Fluid Phase Equilibrium, 2006, 243, 198.
"An Evaluation of the Vaporization, Fusion and Sublimation Enthalpies of the 1-Alkanols. The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol and Cholesterol at T = 298.15 K by Correlation-Gas Chromatography," G. Nichols, S. Kweskin, M. Frericks, S. Reiter, G. Wang, J. Orf, B. Carvallo, D. Hillesheim-Cox and J. S. Chickos, J. Chem. Eng. Data, 2006, 51, 475.
"Measurement of the Vaporization Enthalpy of Complex Mixtures by Correlation-Gas Chromatography. The Vaporization Enthalpy of RP-1, JP-7, and JP-8, Rocket and Jet Fuels at T = 298.15K," H. Zhao and J. S. Chickos, Combustion and Fuel, 2005, 19, 2064.
"The Thermochemistry of Ethyl 3-Oxobutanoate Revisited: Observance of a Non-Zero Enthalpy of Mixing Between Tautomers and Its Effects on Enthalpies of Formation," P. Umnahanant, H. Zhao and J. S. Chickos, J. Chem. Eng. Data, 2005, 50, 1720.
"Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16," M. V. Roux, M. Temprado and J. S. Chickos, J. Chem. Thermodyn., 2005, 37, 941.
"Cubane, Cuneane and their Carboxylates: A Calorimetric, Crystallographic, Calculational and Conceptual Coinvestigation," M. V. Roux, J. Z. Dávalos, P. Jiménez, R. Notario, O. Castaño, J. S. Chickos, W. Hanshaw, H. Zhao, N. P. Rath, J. F. Liebman, B. S. Farivar and A. Bashir-Hashemi, A., J. Org. Chem., 2005, 70, 5461.
"Thermochemistry of 2,4-pentanedione revisited: Observance of a non-zero enthalpy of mixing between tautomers and its effects on enthalpies of formation," M. Temprado, M. V. Roux, P. Umnahanant, H. Zhao and J. S. Chickos, J Phys Chem. B 2005, 109, 12590.
Access to Course Folders and research publications