Handbook for Estimating Physicochemical Properties of by Martin Reinhard, Axel Drefahl

By Martin Reinhard, Axel Drefahl

A finished compendium of released estate estimation strategies for natural compounds. For scientists and engineers trying to estimate homes of compounds, this time-saving instruction manual brings jointly in a single compact quantity an enormous array of estate estimation tools from greater than 2,700 released resources for calculating those and lots 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 thoughts special within the guide were selected for his or her wide applicability and useful worth. The dialogue of every estimating procedure features a transparent exposition of the procedure, 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 houses of natural Compounds, an easy-to-use, Windows(r)-based application that places swift estimation workouts and versatile seek services on the user's fingertips. The Toolkit CD positive factors exercises for estimating key houses of natural compounds and a database of estate and different facts for greater than 24,000 natural compounds. additionally to be had: 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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29. Lai, W. Y, D. H. Chen, and R. N. Maddox, Application of a Nonlinear Group-Contribution Model to the Prediction of Physical Constants: 1. Predicting Normal Boiling Points with Molecular Structure. Ind. Eng. Chem. , 1987: 26, 1072-1079. 30. , S. E. Prickett, and L. Mavrovouniotis, Estimation of Thermodynamic and Physical Properties of Acyclic Hydrocarbons Using the ABC Approach and Conjugation Operators. Ind. Eng. Chem. , 1993: 32, 1734-1746. 31. Balaban, A. , Correlation Between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural Networks.

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28. Rechsteiner, C. , Boiling Point, in Handbook of Chemical Property Estimation, W. J. Lyman, W. F. Reehl, and D. H. Rosenblatt, Editors, 1990. Washington, DC: American Chemical Society. 29. Lai, W. Y, D. H. Chen, and R. N. Maddox, Application of a Nonlinear Group-Contribution Model to the Prediction of Physical Constants: 1. Predicting Normal Boiling Points with Molecular Structure. Ind. Eng. Chem. , 1987: 26, 1072-1079. 30. , S. E. Prickett, and L. Mavrovouniotis, Estimation of Thermodynamic and Physical Properties of Acyclic Hydrocarbons Using the ABC Approach and Conjugation Operators.

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