By Martin Reinhard, Axel Drefahl
A complete compendium of released estate estimation ideas for natural compounds. For scientists and engineers looking to estimate houses of compounds, this time-saving guide brings jointly in a single compact quantity an enormous array of estate estimation equipment from greater than 2,700 released assets for calculating those and plenty of different houses of natural compounds: * Density and molar quantity * Boiling aspect * Refractive index and molar refraction * Melting element * floor stress and parachor * Water solubility * Viscosity * * Air/water partition coefficient * Vapor strain * Octanol/water partition coefficient * Enthalpy of vaporization * Soil/water partition coefficient. the valuables estimation suggestions exact within the guide were selected for his or her vast applicability and sensible worth. The dialogue of every estimating procedure features a transparent exposition of the strategy, together with periods of compounds for which it really is acceptable and significant attention of its strengths and weaknesses, in addition to many worked-out examples demonstrating the approach. The instruction manual can be utilized by itself or in tandem with the Toolkit for Estimating Physicochemical homes of natural Compounds, an easy-to-use, Windows(r)-based application that places speedy estimation workouts and versatile seek functions on the user's fingertips. The Toolkit CD beneficial properties exercises for estimating key houses of natural compounds and a database of estate and different information for greater than 24,000 natural compounds. additionally on hand: Toolkit for Estimating Physicochemical homes of natural Compounds ISBN 0-471-19492-1 (CD-ROM) * Toolkit for Estimating Physicochemical homes of natural Compounds ISBN 0-471-17263-4 (book/CD-ROM set)
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Additional resources for Handbook for Estimating Physicochemical Properties of Organic Compounds M Reinhard and A Drefahl
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For example, two third-order clusters are present in 2,5-dimethylhexane, one in 2-methylheptane, and none in n-octane. Each fourth-order cluster contains four third-order clusters. Thus, 2,2-dimethylhexane has four third-order clusters and one fourth-order cluster. A path-cluster subgraph is a path that includes at least one additional atom connected to a nonterminal atom of the path. G-II is the simplest path-cluster. It is of fourth order. 7) Chain-Type MCIs A chain is a closed path, a path that ends at the same atom from which it started.
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