Relationships between gas—liquid chromatographic behaviour and structure of arylaliphatic acids

• Published in: Journal of Chromatography A 1985, Vol.333 (1), p.21-28
• Main Authors: Kuchař, M., Tomková, H., Rejholec, V., Skalická, O.
• Format: Article
• Language: English
• Subjects: Analytical chemistry; Applied sciences; Chemistry; Chromatographic methods and physical methods associated with chromatography; Exact sciences and technology; Gas chromatographic methods; Other techniques and industries
• ISSN: 0021-9673
• DOI: 10.1016/S0021-9673(01)87321-0

The gas—liquid chromatographic retention behaviour of methyl esters of arylaliphatic acids was studied using the stationary phase Apolane 87. The increments of selected structural fragments were calculated from the Kováts retention indices of the initial group of ten methyl esters of arylaliphatic acids. The intramolecular interactions cause a deviation of the retention indices from the additivity principle; this effect must also be taken into account in the choice of the initial group of compounds. The values of the retention indices of another 21 methyl esters of arylaliphatic acids were calculated from these increments. The regression relationship between calculated and experimental values was characterized by a low standard deviations ( s = 11.0) and a high correlation coefficient ( r = 0.999). The relationships between Kováts retention indices and valence connectivity indices, 1χ v, or molar refractivities, MR, were also evaluated with correlation coefficients between 0.910 and 0.975 and 0.941 and 0.963, respectively, depending on the number of compounds considered. The regression analysis indicated that the dispersion forces and molecular topology were more important than the electrostatic interactions.