Abstract
Retention indices of benzene and 12 methylbenzenes were determined on two capillary columns coated with HP-5 and ZB-WAX at 100 °C. Comparison with the retention indices published by other researchers yields a good accordance. The relationship between the retention index values and several physico-chemical properties of these solutes (freezing point, boiling point, molar volume, van der Waals volume, molar refraction, refraction index, connectivity index, dipole moment and vapor pressure) was investigated by multiple linear regression analysis (MLRA). MLRA equations of seven and eight variables predicted retention indices with mean deviations of 0.66–0.97 index-units in squalane and Carbowax 20 M, and 0.76–1.25 index-units in HP-5 and ZB-WAX. PCA was applied to the system of solutes retention data and stationary phases used, giving results consistent with those of MLR analysis. Samples are scattered or joined by curves. An arrangement of the stationary phases according to the polarity is observed. TCEP was one outlier since it is much more polar than any others.Two groups of variables can be envisaged, one of which is close to the origin of the coordinates, the physicochemical properties that depend linearly. Solute vapor pressure and molar volumes were outliers.
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References
Soják L, Rijks JA (1975) J Chromatogr 119:505–521
Svob V, Deur-Siftar D (1974) J Chromatogr 91:677–689
Papazova DI, Pankova MC (1975) J Chromatogr 105:411–414
Engewald W, Wennrich L, (1976) Chromatographia 9:540–547
Matisová E, Krupcik J, Garaj J, (1982) Chromatographia, 16:169–171
Kuguceva E, Masinskij VI (1983) Zh Anal Khim 38:2023–2026
Tóth T, (1983) J Chromatogr 279;157–165
Gerasimenko VA, Nabivach VM (1982) Zh Anal Khim 37:110–116
Lubeck JA, Sutton DL (1983) J High Resolut Chromatogr 6:328–332
Krupcik J, Liska O, Soják L (1970) J Chromatogr 51:119–127
Kumar B, Kuchhal , Kumar P, Gupta PL (1986) J Chromatogr Sci 24:99–108
Matisová E, Kurán P (1990) Chromatographia 30:329–332
Takács JM (2003) private communication
Doering CE, Estel D, Fischer R (1974) J Prakt Chem 316:1–12
Hebérger K (1982) Chromatographia 25:725–730
Matisová E (1988) J Chromatogr 438: 131–144
Dahlmann G, Koeser HJK, Oelert HH (1979) Chromatographia 12:665–671
Soják J, Majer PM, Krupcik F, Janák F (1972) J Chromatogr 65:143–145
Muchtarova M, Dimov N (1978) J Chromatogr 148:269–272
20Saura-Calixto F, García-Raso A (1984) Intern J Environm Anal Chem 17:279–292
Bermejo J, Guillén MD (1985) Intern J Environm Anal Chem 23:77–86
Bermejo J, Guillén MD (1983) Chromatographia 17:664–668
Bermejo J, Canga JS, Gayo OM (1984) J Chromatogr Sci, 22:252–255
Bermejo J, Canga OM, Gayol OM (1982) Intern J Environm Anal Chem 11:271–281
Nabivach VM, Kirilenko AV (1980) Chromatographia 13 93–100
Dimov N, Mekenyian Ov (1988) Anal Chim Acta 212:317–323
Dimov N, Mekenyian Ov (1989) J Chromatogr 471:227–236
Kaliszán R, (1987) Quantitative Structure-Chromatographic Retention Relationships, Whiley, Chemical Analysis, 93 New York 303 pp
Abraham MH (1993) Chem Soc Rev 22:73–83
Santiuste JM, Takács JM (2003) Chromatographia 58:87–96
Handbook of Chemistry and Physics, 59th Edition (1978)
Wilhoit RC, Bolinski BJ (1971) Handbook of vapor pressures and heats of vaporization of hydrocarbons and related compoundsThermodynamic Research Center, Texas AM University, College Station, TX
Randic M (1975) J Amer Chem Soc 97:6609–6613
Bondi A (1964) J Phys Chem 68:441–451
Saura-Calixto F, García Raso A (1982) Chromatographia 15:521–524
Pérez-Parajón JM, Santiuste JM (2004) J Chromatogr Sci in press
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Pérez-Parajón, J., Santiuste, J. & Takács, J. Prediction of the Retention Indices of Benzene and Methylbenzenes Based on their Retention Data-Physico Chemical Properties Relationship. Chromatographia 60, 199–206 (2004). https://doi.org/10.1365/s10337-004-0353-2
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DOI: https://doi.org/10.1365/s10337-004-0353-2