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Chemical Property Estimation: Theory and Application, 1st Edition (Hardback) book cover

Chemical Property Estimation

Theory and Application, 1st Edition

By Edward Baum

CRC Press

400 pages

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Hardback: 9780873719384
pub: 1997-12-29
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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.

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

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

Subject Categories

BISAC Subject Codes/Headings:
SCI013000
SCIENCE / Chemistry / General