Abstract
Author(s): Fatih Ä°slamoÄlu* and Bahtiyar NAR
Thermodynamic properties (enthalpy (?H, kcal/mol), heat capacity (C, cal/Kmol), entropy (?S, cal/Kmol) and free energy (?G, kcal/mol)) of some eugenol derivatives ((1) 4-allyl-2-methoxy-6- (phenyldiazenyl)phenol, (2) 4-allyl-2-((4-hydroxyphenyl)diazenyl)-6-methoxy phenol, (3) 4-allyl-2- ((4-iodophenyl)diazenyl)-6-methoxyphenol, (4) 4-((5-allyl-2-hydroxy-3-methoxy phenyl)diazenyl)benzenesulfonic acid) have been determined the MOPAC 2016 computer program at 298 K used in semi-empirical quantum chemical methods (PM7, PM6, PM6-DH2, RM1, PM3, AM1 and MNDO) in different solvents (methyl alcohol, ethyl alcohol, isopropyl alcohol, n-butyl alcohol, tert-butyl alcohol, ethylene glycol, dimetyl sulfoxide, ammonia, N,N-dimethyl formamide and acetonitrile). The results were evaluated by comparing between the solvents and the methods.