【摘要】 提出用色谱相对比保留体积（Ｖｇ（ｒ））和分子连接世指数二元参数估算芳烃化合物水溶解度（Ｓｗ）。为此，测定了１３种芳烃化合物在９种麦克雷诺常数（Ｍｃ）固定相上的Ｖｇ（ｒ），用振荡法测定其Ｓｗ，计算它们的一阶项分子连　　　接性指数（１Ｘ）和二阶项分子连接性指数（２Ｘ），建立了９种固定相的，１Ｘ与ｌｇＳｗ（方程Ⅰ型）和，２Ｘ与ｌｇＳｗ（方程Ⅱ型）的二元回归方程。Ｆ检验表明，回归方程总体高度显著相关。用上述两方程估算不同芳烃ｌｇＳｗ，估算值与实例值吻合较好，相对误差分别为４．１％和３．７％。用方程（Ⅱ）型估算同一芳烃，标准偏差０．０３６。误差分析表明由Ｖｇ（ｒ）估算Ｓｗ方程的相关性不受固定相极性的影响，可方便地选择固定相。更多还原

【Abstract】 A new method for estimating the solubility of aromatic compound in water is discussed.Two parameters of the Vg(r) and the index of molecular connectivity are used to estimate the solubility of aromatic compound(Sw) in water. For 13 aromatic compounds on 9 kinds of different Mc stationary phases Vg(r) is determined and Sw is measured by shaking method.Based on the calculation of the index of molecular connectivity for first order and second order terms of aromatic compound, the binary regression equations of 9 kinds of stationary phases of lg 1/Vg(r)X and lgSw(Type 1 Eq.),lgl/Vg(r),2X and lgSw(Type Ⅱ Eq.) are established.F examination shows a highly significant relativity for regression equation.Using both equations above lgS_w for different aromatics is estimated and it has better concordance with measurements.The relative errors are 4.1% and 3.7% respectively.The standard deviation of estimation for the same aromatic compounds using type Ⅱ equation is 0.036.The analysis error shows that the relativity for Sw equation from Vg(r)is not affected by the polarity of the stationary phases.It is a convenient method for selecting the stationary phases in experiment.更多还原