Determination of Solute Descriptors for Illicit Drugs Using Gas Chromatographic Retention Data and Abraham Solvation Model Page: 55
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Here below are the experimental log and the calculated log of the six columns listed in
Tables 3.8 to 3.13.
Table 3.8. Experimental LogtR and LogtR calculated for column ZB wax plus
Solute Log exp Log calc Solute Log exp Log calc
1-Bromohexane 0.786 0.792 Nonylamine 0.939 0.917
1,2-Dichlorobenzene 0.970 0.949 o-anisaldehyde 1.098 1.124
1,2-Dimethylbenzene 0.812 0.826 Octylamine* 0.895 0.865
2-Acetylpyridine 1.012 1.015 Phenyl acetic Acid 1.201 1.229
Propylene
2-Butanone 0.593 0.669 Carbonate* 1.082 0.927
2-Chlorophenol* 1.084 1.017 Pyridine 0.810 0.801
2-Picoline 0.834 0.819 Quinoline 1.107 1.116
3-Amino-i-propanol* 0.985 0.891 Tetrachloroethylene 0.680 0.756
Acetamide 1.055 1.039 Tetrahydrofuran* 0.540 0.666
Acetic Acid* 0.960 0.758 Toluene 0.695 0.749
Acetone* 0.504 0.617 1-Butanol 0.745 0.724
Acetophenone 1.027 1.006 1-Octanol* 0.971 0.918
Alpha pinene 0.683 0.750 2-Butoxyethanol* 0.909 0.835
2-Methyl -2-
Amyl acetate 0.800 0.803 Pentanol 0.708 0.745
Aniline* 1.056 1.002 4-Chlorophenol 1.186 1.216
Benzene* 0.603 0.692 4-Methyl-2 pentanol 0.764 0.759
Benzoic Acid* 1.197 1.133 4-Nitrotoluene 1.075 1.100
Benzonitrile 1.013 0.978 Acetic anhydride* 0.820 0.762
Benzyl chloride 0.979 0.951 Benzyl bromide 1.005 1.023
Biphenyl 1.103 1.182 Butyric acid* 0.987 0.851
Bromobenzene 0.906 0.888 Butyronitrile 0.710 0.746
Chlorobenzene 0.830 0.820 Cyclohexane 0.525 0.592
Diiodomethane 0.848 0.885 Cyclohexanol 0.912 0.874
Ethanol 0.599 0.607 Diisopropylamine* 0.515 0.624
Ethyl Acetate* 0.555 0.649 Dimethyl carbonate 0.606 0.633
Ethyl benzoate 1.031 1.021 Ethanolamine* 0.906 0.818
Ethyl decanoate 1.017 1.040 Ethyl Acetoacetate* 0.934 0.852
Formamide 1.004 1.006 Ethylbenzene 0.732 0.794
Isoquinoline 1.117 1.136 Ethylene glycol* 1.003 0.910
Lactic acid* 0.887 0.954 Formic acid* 0.524 0.793
Mesitylene 0.850 0.858 Iodobenzene 0.961 0.972
Methyl acetate* 0.512 0.613 Malonic acid* 0.926 1.247
Methyl benzoate 1.017 0.984 N,N 0.916 0.99155
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Mitheo, Yannick K. Determination of Solute Descriptors for Illicit Drugs Using Gas Chromatographic Retention Data and Abraham Solvation Model, thesis, August 2015; Denton, Texas. (https://digital.library.unt.edu/ark:/67531/metadc804935/m1/64/: accessed July 17, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .