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Chemical Property Estimation: Theory and Application

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If you need to know how a chemical is going to behave in the lab or in the environment but can't find measured values of its physical properties, here is a book for you. I wrote this book with environmental specialists in mind, but it will also be useful to engineers, scientists, and other specialists in industry and academia who need to screen chemicals, design industrial processes, design chemical syntheses, monitor and analyze chemicals, or identify outliers in measured values of physical properties. The properties covered are boiling point, melting point, density, vapor pressure, solubility, activity coefficient, air-water partition coefficient, octanol-water partition coefficient, sorption coefficient, bioconcentration factor, diffusivity, and volatility. The methods described are, without exception, easy to apply and properly validated. Input data is readily available for them all. Even so, they give accurate and reliable estimates of the properties of a broad range of interesting chemicals within the normal range of ambient conditions. Statistics, applicability, and example calculations are given for every method described. Lots of reference data on many important environmental contaminants is included, too.