Publication Details (including relevant citation information):
John Wiley & Sons, Inc., New York, 1999. ISBN: 0-471-17264-2
The purpose of this Handbook is to introduce the reader to the concept of property estimation and to summarize property estimation methods used for important physicochemical properties. The number of estimation methods available in the literature is large and rapidly expanding. This book covers a subset judged to have relatively broad applicability and high practical value. Property estimation may involve the selection of an appropriate mathematical relationship, identification of similar compounds, retrieval of data and empirical constants, standard adjustments for nonpressure temperature, and examination of original literature. To facilitate this often tedious task, we have developed the "Toolkit for Estimating Physicochemical Properties" (Reinhard and Drefahl, 1998), hereafter referred to as Toolkit.
In some cases, property estimation methods may yield results that are nearly as good as measured values. However, estimates often often deviate from the accurate value by a factor of 2 or more and may be considered order-of-magnitude estimates. For many applications, such estimates are adequate. Some of the estimation methods discussed are qualitative rules that indicate that a property of the query is greater or smaller than a given value. Generally, the accuracy of property estimation methods is difficult to assess and has to be discussed on a case-by-case basis. Chemical intuition remains an important element in all properrty estimations, however.