The compositions and the physical properties of mixtures are required to simulate multi-component batch distillation operations. In this study, temperature and accumulated distillate are measured as a function of time by use of a simple distillation apparatus. Initial compositions and physical parameters are estimated from this measurement data by a dynamic mathematical model, to examine the extent to which batch distillation operations can be predicted. For an ideal and a non-ideal solution system, the following three types of value estimation are examined: (I) compositions only, (II) parameters of one component, and (III) compositions and parameters of one component. The compositions could be estimated with sufficient accuracy. As for the physical properties, after devising a method for reducing the number of parameters, it is found that a batch distillation operation can be industrially designed from the estimated results.