Prediction of gas chromatographic retention indexes of selected olefins

Gas chromatographic retention indexes for olefins can be calculated by using descriptors based on chemical structure. The retention indexes of 86 olefins were regressed against calculated descriptors, and a four variable equation was found with a multiple correlation coefficient of 0.997. A separately derived equation with two variables and a correlation coefficient of 0.998 was also calculated. In both cases, the descriptors chosen were consistent with theory. 28 references, 2 figures, 4 tables.

[1]  Howard B. Greenhill,et al.  Development of a microprocessor-based electrochemical instrument interfaced to a microcomputer system for differential-pulse stripping voltammetry in different time domains , 1984 .

[2]  D. Tallman,et al.  Chronoamperometric response at carbon-based composite electrodes , 1983 .

[3]  N. Armstrong,et al.  Metallized-plastic optically transparent electrodes , 1979 .

[4]  Koichi Aoki,et al.  Formulation of the diffusion-controlled current at very small stationary disk electrodes , 1984 .

[5]  K. Jinno,et al.  Computer-assisted retention prediction system for reversed-phase micro high-performance liquid chromatography , 1984 .

[6]  W. Thormann,et al.  Detection of transient and steady states in electrophoresis: Description and applications of a new apparatus with 255 potential gradient detectors along the separation trough , 1984 .

[7]  Desire L. Massart,et al.  Prediction of gas chromatographic retention indexes with topological, physicochemical, and quantum chemical parameters , 1983 .

[8]  A. Bond.  Reliable use of calibration curves in voltammetric analysis with a new technique of microcomputer-based data evaluation , 1985 .

[9]  K. Tokuda,et al.  Voltammetry at partially covered electrodes: Part II. Linear potential sweep and cyclic voltammetry , 1979 .

[10]  M. Guillén,et al.  Prediction of gas chromatographic retention indices of linear, branched, and cyclic alkanes from their physicochemical properties , 1984 .

[11]  H. White,et al.  CHEMICAL DERIVATIZATION OF MICROELECTRODE ARRAYS BY OXIDATION OF PYRROLE AND N-METHYLPYRROLE: FABRICATION OF MOLECULE-BASED ELECTRONIC DEVICES. , 1984 .

[12]  K. Stulík,et al.  Carbon pastes for voltammetric detectors in high-performance liquid chromatography , 1981 .

[13]  E. Grushka,et al.  Structure-retention relationships: chromatographic behaviour and properties of nucleotide-cation complexes , 1985 .

[14]  S. W. Ferris.  Handbook of Hydrocarbons , 1955 .

[15]  L. Soják,et al.  Determination of the boiling points of straight-chain C12- alkenes from their gas chromatographic retention indices , 1972 .

[16]  Peter C. Jurs,et al.  Calculation of linear temperature programmed capillary gas chromatographic retention indexes of polycyclic aromatic compounds , 1981 .

[17]  K. Aoki,et al.  Diffusion controlled current at a stationary finite disk electrode: Experiment , 1981 .

[18]  A. J. Lubeck,et al.  Kovats retention indices of selected olefins on bonded phase fused silica capillaries , 1984 .

[19]  R. Mark Wightman,et al.  Flow rate independent amperometric cell , 1982 .

[20]  J. Osteryoung,et al.  Arrays of very small voltammetric electrodes based on reticulated vitreous carbon , 1984 .

[21]  D. Tallman,et al.  Kel-F-graphite composite electrode as an electrochemical detector for liquid chromatography and application to phenolic compounds , 1981 .

[22]  T. E. Edmonds,et al.  Carbon fibre micro-electrodes in the differential pulse voltammetry of copper ions , 1983 .

[23]  B.E.F. Smith,et al.  Gas chromatographic investigation of organometallic compounds and their carbon analogues : VI. Determination, calculation and correlation of Kováts retention indices for alkylalkoxysilanes , 1974 .

[24]  P. Jurs,et al.  Studies of Chemical Structure-Biological Activity Relations Using Pattern Recognition , 1979 .

[25]  Henry S. White,et al.  Chemical derivatization of an array of three gold microelectrodes with polypyrrole: Fabrication of a molecule-based transistor , 1984 .

[26]  J. J. Brooks,et al.  Mathematical modeling of temperature programmed capillary gas chromatographic retention indexes for polychlorinated dibenzofurans , 1985 .

[27]  D. Armentrout,et al.  Trace determination of phenolic compounds in water by reversed phase liquid chromatography with electrochemical detection using a carbon-polyethylene tubular anode , 1979 .

[28]  E. Gileadi,et al.  Ensembles of microelectrodes: A digital- simulation , 1982 .

[29]  F. Saura-calixto,et al.  Correlations Between GLC Retention Indices and Boiling Temperatures. II. Influence of the Stationary Phase Polarity , 1983 .

[30]  Jürgen Heinze,et al.  Theory of Cyclic Voltammetry at Microdisk Electrodes , 1981 .

[31]  E. Gileadi,et al.  Ensembles of microelectrodes: Digital simulation by the two-dimensional expanding grid method: Cyclic voltammetry, iR effects and applications , 1984 .

[32]  A. Leo,et al.  Substituent constants for correlation analysis in chemistry and biology , 1979 .

[33]  J. Krupčík,et al.  Correlations between boiling points and relative retention data for hydrocarbons , 1974 .

[34]  A. Sabljic.  Calculation of retention indices by molecular topology , 1985 .

[35]  Á. Tóth,et al.  Calculation of constants of logarithmic adjusted retention time versus carbon number function used in gas— liquid cheromatography , 1984 .

[36]  K. Tokuda,et al.  Voltammetry at partially covered electrodes: Part I. Chronopotentiometry and chronoamperometry at model electrodes , 1978 .

[37]  A. Hopfinger.  Computer-assisted drug design. , 1985, Journal of medicinal chemistry.

[38]  Koichi Aoki,et al.  Diffusion-controlled current at the stationary finite disk electrode: Theory , 1981 .

[39]  J. F. Johnson,et al.  Boiling points of C-10-C-15 straight chain alkylbenzene isomers from gas chromatographic retention data. , 1965, Journal of chromatography.

[40]  O. Contamin,et al.  Characterization and identification of partially blocked electrodes , 1982 .