【摘要】 定义脂肪醇中非氢原子的点价为t_i=m_i（n_i-1）（x_c/x_i）^0.5-h_i-δ_i,并在分子拓扑理论基础上,建构该类化合物的连接性指数ⁿL:ⁿL=∑（t_i·t_j·t_k…）^0.5,其中⁰L=∑（t_i）^0.5,¹L=∑（t_i·t_j）^0.5.同时从MATLAB中筛选出Kappa指数¹K.⁰L、¹L、¹K与醇的-lgSw、lgKow的相关系数分别为0.9950、0.9971,均优于文献方法.更多还原

【Abstract】 The point valence of a non-hydrogen atom in aliphatic alcohols is defined as t_i=m_i（n_i-1）（x_c/x_i）^0.5-h_i-δ_i。Based on the molecular topological theory,a connectivity index ⁿL=Σ（t_i·t_j·t_k…）^0.5is set up and ⁰L and ¹L among ⁿL are defined as ⁰L=∑（t_i）^0.5and ¹L=∑（t_i·t_j）.In same time,the Kappa index ¹K is selected from MATLAB.The correlation coefficients of ⁰L,¹L,¹K between -lgSw,lgKow are 0.9950,0.9971 respectively. Their co relativifios are much better than those of the literature methods.更多还原