1st Edition

Chemical Property Estimation
Theory and Application




ISBN 9780873719384
Published December 29, 1997 by CRC Press
416 Pages

USD $195.00

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Book Description

Our world is widely contaminated with damaging chemicals, and companies create thousands of new, potentially dangerous chemicals each year. Due to the difficulty and expense of obtaining accurate measurements and the unreliability of reported values, we know surprisingly little about the properties of these contaminants. Determining the properties of chemicals is critical to judging their impact on environmental quality and in making decisions about emission rates, clean-up, and other important public health issues.
Chemical Property Estimation describes modern methods of estimating chemical properties, methods which cost much less than traditional laboratory techniques and are sufficiently accurate for most environmental applications. Estimation methods are used to screen chemicals for testing, design monitoring and analysis methods, design clean-up procedures, and verify experimental measurements. The book discusses key methods for estimating chemical properties and considers their relative strengths and weaknesses. Several chapters are devoted to the partitioning of chemicals between air, water, soil, and biota; and properties such as solubility, vapor pressure, and chemical transport.
Each chapter begins with a review of relevant theory and background information explaining the applications and limitations of each method. Sample calculations and practical advice on how and when to use each method are included as well. Each method is evaluated for accuracy and reliability. Computer software, databases, and internet resources are evaluated, as well as other supplementary material, such as fundamental constants, units of measure, and more.

Table of Contents

Estimating the Properties of Chemicals: The Foundation of Environmental Research
Introduction
Why We Estimate Chemical Properties
Predicting Environmental Partitioning and Transport
Prganization of the Book
Units of Measure
Concepts and Theory of Property Estimation
Introduction
Quantitative Property-Property Relationships
Quantitative Structure-Property Relationships
References
Boiling Point and Melting Point
Introduction
Methods of Estimating Normal Boiling Point
Methods of Estimating Melting Point
Density and Molar Volume
Introduction
Estimation Methods
Sensitivity to Environmental Parameters and Method Error
References
Surface Tension and Parachor
Introduction
Estimation
Sensitivity to Environmental Parameters and Method Error
References
Vapor Pressure
Introduction
A Vapor Pressure Model
Methods of Estimating Saturation Vapor Pressure
Vapor Pressure and Air/Liquid Partitioning of Chemicals in Mixtures
Sensitivity to Environmental Parameters and Method Error
References
Aqueous Solubility and Activity Coefficient
Introduction
Background
Methods of Estimating Aqueous Solubility
Sensitivity to Environmental Parameters and Method Error
References
Air-Water Partition Coefficient
Introduction
Background
Estimation Methods
Sensitivity to Environmental Parameters and Method Error
References
Octanol-Water Partition Coefficient
Introduction
Background
Estimation Methods
Sensitivity to Environmental Parameters and Method Error
References
Soil and Sediment Sorption Coefficient
Introduction
Background
Estimation Methods
Sensitivity to Environmental Parameters and Method Error
References
Bioconcentration Factor and Related Parameters
Introduction
A Bioconcentration Model
Methods of Estimating Fish Bioconcentration Factors
Methods of Estimating Bioaccumulation Factors in Cattle and Dairy Products
Methods of Estimating Bioaccumulation Factors in Plants and Vegetables
References
Diffusivity
Introduction
Estimation Methods
References
Volatilization from Soils
Introduction
Chemical Transport Between Soil and Air
Methods of Estimating the Rate of Volatilization from Soil
Model Sensitivity and Method Error
References
Appendices

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Author(s)

Biography

Baum, Edward

Reviews

"Baum offers one of only a few resources on the subject, clearly the most up-to-date... an ambitious effort to compile the theory and application of chemical estimation methods... He fills the gap where measured data on the properties of an ever-increasing number of chemicals in use are absent, thus giving environmental engineers, health and safety scientists, and other applications-oriented professionals a firmer basis on which to make evaluations, predictions, or decisions."
-CHOICE