Application of Quantitative Structure-Retention Relationships to Calculate Chromatographic Retention Times of O-Acetylphenyl Esters

Science Direct Working Paper No S1574-0331(04)70083-1

24 Pages Posted: 24 May 2017 Last revised: 2 Dec 2017

See all articles by G.P. Romanelli

G.P. Romanelli

affiliation not provided to SSRN

Gustavo Romanelli

Universidad Nacional de La Plata - Departamento de Quimica

J. Jios

Universidad Nacional de La Plata - Departamento de Quimica

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

D. Ruiz

Universidad Nacional de La Plata - Departamento de Quimica

Eduardo Alberto Castro

Universidad Nacional de La Plata - Departamento de Quimica

Date Written: October 2001

Abstract

The Quantitative Structure-Retention Relationships theory is applied to compute retention times of some o-acetyl-phenyl esters. Molecular topological descriptors are used to calculate the fitting equations. Experimental data is satisfactorily described by the theoretical equations. Some further possible extensions of the present approach are analyzed for future developments.

Keywords: Quantitative structure-retention relationships, Retention times, o-Acetyl-phenyl esters, Topological descriptors

Suggested Citation

Romanelli, G.P. and Romanelli, Gustavo and Jios, J. and Cafferata, Lázaro and Ruiz, D. and Castro, Eduardo Alberto, Application of Quantitative Structure-Retention Relationships to Calculate Chromatographic Retention Times of O-Acetylphenyl Esters (October 2001). Chemistry Preprint Archive Vol. 2001, Issue 10, pp 225-248. Available at SSRN: https://ssrn.com/abstract=2966475

G.P. Romanelli (Contact Author)

affiliation not provided to SSRN

No Address Available

Gustavo Romanelli

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

J. Jios

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

Lázaro Cafferata

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

D. Ruiz

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

Eduardo Alberto Castro (Contact Author)

Universidad Nacional de La Plata - Departamento de Quimica ( email )

Calle 47 y 115
La Plata, 1900
Argentina

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