Table 6.
Analyte | MW | N{H} | dRI/dC(CH3OH) | dRI/dC(CH3CN) | logP * |
---|---|---|---|---|---|
Compounds with dRI/dC << 0 | |||||
N-Hexyl-p-toluenesulfonamide | 255 | 1 | −5.6 ± 0.3 | −3.1 ± 0.2 | 4.09 ± 0.30 |
N-Benzyl-p-toluenesulfonamide | 261 | 1 | −5.3 ± 0.2 | −3.8 ± 0.1 | 3.21 ± 0.32 |
N-Phenyl-p-toluenesulfonamide | 247 | 1 | −5.2 ± 0.1 | −4.5 ± 0.2 | 3.04 ± 0.29 |
N-tert-Butyl-p-toluenesulfonamide | 227 | 1 | −4.1 ± 0.2 | −2.0 ± 0.1 | 2.66 ± 0.32 |
1-Phenylpyrazolidin-3-one | 162 | 1 | −4.0 ± 0.2 | −2.5 ± 0.5 | 0.89 |
N-Allyl-p-toluenesulfonamide | 211 | 1 | −3.4 ± 0.1 | −2.0 ± 0.1 | 2.26 ± 0.32 |
N,N-Diethyl-p-toluenesulfonamide | 227 | 0 | −3.2 ± 0.1 | −1.8 ± 0.1 | 2.87 ± 0.28 |
Diethyl-m-toluamide | 191 | 0 | −2.0 ± 0.1 | −1.2 ± 0.3 | 2.18 |
3-Nitrophenol | 139 | 1 | −1.0 ± 0.1 | −1.9 ± 0.3 | 2.00 |
Compounds with dRI/dC ≈ 0 | |||||
Sulphamethoxazol (hydrate) | 253 | 3 | −0.4 ± 0.1 | −1.4 ± 0.3 | 0.89 |
1H-Benzortriazole (probably, hydrate) | 119 | 1 | −0.24 ± 0.04 | −2.2 ± 0.4 | 1.44 |
Phthalimide (probably, hydrate) | 147 | 1 | −0.24 ± 0.04 | −1.5 ± 0.3 | 1.15 |
Acetophenone hydrazone | 134 | 2 | −0.11 ± 0.05 | - | 1.28 ± 0.51 |
Acetophenone | 120 | 0 | 0.0 | 0.0 | 1.70 |
Ninhydrin (hydrate) | 178 | 2 | 0.05 ± 0.08 | - | 0.67 |
Nitrobenzene | 123 | 0 | 0.3 ± 0.2 | 0.5 ± 0.2 | 1.83 |
2,3,5-Trimethylphenol | 136 | 1 | 0.3 ± 0.1 | −1.5 ± 0.2 | 2.73 |
Compounds with dRI/dC >> 0 | |||||
Chlorobenzene | 112 | 0 | 2.8 ± 0.2 | 0.8 ± 0.4 | 2.90 |
Toluene | 92 | 0 | 4.0 ± 0.1 | 0.6 ± 0.2 | 2.71 |
o-Xylene | 106 | 0 | 4.6 ± 0.3 | 0.2 ± 0.3 | 3.12 |
(*) Precalculated logP values are indicated with standard deviations (ACD software).