Fresenius' Zeitschrift für analytische Chemie

, Volume 334, Issue 2, pp 136–138 | Cite as

The correlation between HPLC parameters and topological indices of alkanes

  • N. Adler
  • N. Rak
  • K. Sertić-Bionda
Original Papers Petrochemical Analyses


The possibility of predicting the parameters in HPLC by means of theoretical calculations, represents a significant step forward in the analysis of the complex mixtures of higher boiling petroleum fractions. Quantitative structure-property relationship, QSPR, is being used more and more in Chromatographic studies, since it is by now established that the retention indices have a structural origin. In the present paper we investigate whether the HPLC parameters of alkanes could be predicted from the QSPR-type models using the Wiener number as a structural descriptor. The Wiener number, which has already been applied in several cases to the prediction of gas Chromatographic retention indices and HPLC parameters for polycyclic aromatic hydrocarbons, has now been employed for calculating the HPLC retention time of n-alkanes and cycloalkanes.


High Performance Liquid Chromatography High Performance Liquid Chromatography Topological Index Cycloalkanes Cycloheptane 
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Korrelation zwischen HPLC-Parametern und topologischen Indices von Alkanen


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  1. 1.
    Synovec RE, Yeung ES (1984) Anal Chem 56:1452–1457CrossRefGoogle Scholar
  2. 2.
    Randić M (1978) J Chromatogr 161:1–14CrossRefGoogle Scholar
  3. 3.
    Rouvray DH (1986) Sci Am 255:36–43CrossRefGoogle Scholar
  4. 4.
    Hanson MP, Rouvray DH (1987) J Phys Chem 91:2981–2985CrossRefGoogle Scholar
  5. 5.
    Trinajstić N (1983) Chemical graph theory, vol 2. CRC Press, Boca Raton, pp 105–140Google Scholar
  6. 6.
    Kasan MN, Jurs PC (1983) Anal Chem 55:263–269CrossRefGoogle Scholar
  7. 7.
    Adler N, Babić D, Trinajstić N (1985) Fresenius Z Anal Chem 322:426–429CrossRefGoogle Scholar
  8. 8.
    Wiener H (1947) J Am Chem Soc 69:17–20CrossRefGoogle Scholar
  9. 9.
    Trinajstić N, Protić G, švob V, Deur-šiftar D (1979) Kem Ind 28:527–537Google Scholar
  10. 10.
    Krishen A, Tucker RG (1977) Anal Chem 49:898–902CrossRefGoogle Scholar
  11. 11.
    Bonchev D, Mekenyan O, Protić G, Trinajstić N (1979) J Chromatogr 176:149–156CrossRefGoogle Scholar

Copyright information

© Springer-Verlag 1989

Authors and Affiliations

  • N. Adler
    • 1
  • N. Rak
    • 1
  • K. Sertić-Bionda
    • 1
  1. 1.Petroleum & Petrochemical Department, Chemical Engineering Institute, Faculty of TechnologyUniversity of ZagrebZagrebYugoslavia

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