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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2012, 1, 59—68.
Volume Effects in Sublimation Enthalpies of Amino Acids and N-Acetylamides of Amino Acids
E. Yu. Tyunina
Author affiliations G.A. Krestov Institute of Solution Chemistry of RAS (ISC RAS)
Laborator “Thermodynamics of non-electrolyte solutions and active substances”
Akademicheskaya St., 1. Ivanovo, 153045. Russia. E-mail: email@example.com
Abstract The effects of molecular shape, crystal density and free space in thermodynamic properties of the organic crystals were investigated on the basis of the experimental data analysis on thermodynamic (enthalpy of sublimation, heat capacity) and structural characteristics of 20 crystalline amino acids and 7 N-acetylamides of amino acids. Multiparameter correlations between enthalpy of sublimation and molecular descriptors of compounds were proposed.Using the form of the multi-parameter equations, the estimation of volume, electrostatic and hydrogen bond factors to the enthalpy of sublimation for the studied compounds was carried out.
Keywords: mino acids, N-acetylamides of amino acids, enthalpy of sublimation, crystal volume factors, multi-parameter equations.