| 摘要 |
PROBLEM TO BE SOLVED: To provide a system for estimating refractive index of known and unknown chemical substances.SOLUTION: In the refractive index estimation method of a chemical substance, the chemical substance is decomposed into fragments of respective partial structures, an equation of estimating a refractive index by multiple regression analysis is determined, and the refractive index of the chemical substance is calculated using the equation. The estimation equation of the refractive index of the chemical substance is equation (1): n=[(1+2×&Sgr;mn/V)/(1-&Sgr;mn/V)]. In the equation (1), nshows refractive index, mshows the number of fragments i, nshows a parameter corresponding to additive contribution related to refractive index of fragment i, and Vshows molar volume of the chemical substance. |
