Relationships between gas chromatographic retention indices and molecular structure of aromatic hydrocarbons

Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes

“…As a rule, the isothermal Kovat's indices are only slightly dependent on the GC-oven temperature [42]. There are some comprehensive libraries containing retention values of alkyl-benzenes and other compounds available from the literature [38][39][40][41][42][43][44][45][46]. The Sadtler Standard…”

“…From these abundant sources, we have chosen only several data sets of isothermal Kovat's indices of alkyl-benzenes, namely: SE-30 [42], Squalane [42,43], OV-101 [38,44], Carbowax 20M [42]. This selection is given in table 3 and it includes non-polar silicones, such as SE-30 or OV-101, as well as highly polar stationary phase Carbowax 20M.…”

Practical retention index models of OV-101, DB-1, DB-5, and DB-Wax for flavor and fragrance compounds

“…There have been numerous mathematical models of GC retention indices on various stationary phases (Anker, Jurs, & Edwards, 1990;Bermejo & Guille´n, 1987;Buydens & Massart, 1983;Gerasimenko & Nabivach, 1990;Hale et al, 1985;Hasan & Jurs, 1988;He´berger, Go¨rge´nyi, & Sjo¨stro¨m, 2000;Jalali-Heravi & Fatemi, 2001;Os´mla"owski, Halkiewicz, & Kaliszan, 1986;Os´mla"owski, Halkiewicz, Radecki, & Kaliszan, 1985;Raymer, Wiesler, & Novotny, 1985;Robbat & Kalogeropoulos, 1990;Rohrbagh & Jurs, 1985;Sabljic´, 1985;Stanton & Jurs, 1989;Whalen-Pedersen & Jurs, 1981). One study used artificial neural networks to model retention indices on a Carbowax 20M stationary phase (Jalali-Heravi & Fatemi, 2001).…”

QSPR analysis for the retention index of flavors and fragrances on a OV-101 column

“…In our case, the validation set is 4.1 times bigger than the largest one previously analyzed [14]. In addition, three QSRR studies from Table 3 do not perform external validation [8,12,49]. The model found in the current work has the smallest number of uncorrelated descriptors.…”