Chemical Property Estimation : Theory and Application /: Theory and Application. (2018)

• Record Type: Book
• Further Information: Note: Edward J. Baum.
• Authors: Baum, Edward J
• Contents: Cover; Half Title; Title Page; Copyright Page; Preface; About the Author; Dedication; Table of Contents; 1: Estimating the Properties of Chemicals: The Foundation of Environmental Research; 1.1 Introduction; 1.2 Why We Estimate Chemical Properties; 1.3 Predicting Environmental Partitioning and Transport; 1.4 Organization of the Book; 1.5 Units of Measure; References; 2: Concepts and Theory of Chemical Property Estimation; 2.1 Introduction; 2.2 Quantitative Property-Property Relationships; 2.2.1 Fundamental Models; 2.2.2 Empirical Models; 2.2.3 Semi-Empirical Models 2.3 Quantitative Structure-Property Relationships2.3.1 Fundamental Relationships; 2.3.2 Fragment Contributions and Structural Factors; 2.3.3 Topological Indices; References; 3: Boiling Point and Melting Point; 3.1 Introduction; 3.2 Methods of Estimating Normal Boiling Point; 3.2.1 Joback and Reid's Method; 3.2.2 Other Methods; 3.2.3 Sensitivity to Environmental Parameters; 3.3 Methods of Estimating Melting Point; 3.3.1 Joback and Reid's Method; 3.3.2 Other Methods; References; 4: Density and Molar Volume; 4.1 Introduction; 4.2 Estimation Methods; 4.2.1 Girolami's Method; 4.2.2 Grain's Method 4.2.3 Schroeder's Method4.2.4 Constantinou et a1.'s Method; 4.2.5 Immirzi and Perini's Method; 4.3 Sensitivity to Environmental Parameters and Method Error; References; 5: Surface Tension and Parachor; 5.1 Introduction; 5.2 Estimation Methods; 5.2.1 Sugden's Method; 5.2.2 McGowan's Method; 5.3 Sensitivity to Environmental Parameters and Method Error; References; 6: Vapor Pressure; 6.1 Introduction; 6.2 A Vapor Pressure Model; 6.3 Methods of Estimating Saturation Vapor Pressure; 6.3.1 Nonpolar Hydrocarbons; 6.3.2 Polar and Hydrogen-Bonded Hydrocarbons; (I) Vetere's Method (2) Fishtine's Method6.3.3 Other Useful Methods; 6.4 Vapor Pressure and Air/Liquid Partitioning of Chemicals in Mixtures; 6.5 Sensitivity to Environmental Parameters and Method Error; References; 7: Aqueous Solubility and Activity Coefficient; 7.1 lntroduction; 7.2 Background; 7.3 Methods of Estimating Aqueous Solubility; 7.3.1 Group-Contribution Methods; (l) Klopman et al.'s Method; (2) Kuhne et al.'s Method; 7.3.2 Quantitative Solubility-Kow Relationships; 7.3.3 Quantitative Aqueous Solubility-Activity Coefficient Relationships; (1) Yalkowsky's Method; (2) AQUAFAC Method (3) Kan and Tomson's Method(4) UNIFAC Calculation; 7.3.4 Quantitative Structure-Solubility Relationships; 7.3.5 Hybrid Models; 7.4 Sensitivity to Environmental Parameters and Method Error; References; 8: Air-Water Partition Coefficient; 8.1 Introduction; 8.2 Background; 8.3 Estimation Methods; 8.3.1 Quantitative Property-KAw Relationships; 8.3.2 Quantitative Structure-KAw Relationships; 8.3.3 Group Contribution Methods; 8.4 Sensitivity to Environmental Parameters and Method Error; References; 9: Octanol-Water Partition Coefficient; 9.1 Introduction; 9.2 Background; 9.3 Estimation Methods
• Publisher Details: Boca Raton, FL : CRC Press
• Publication Date: 2018
• Extent: 1 online resource
• Subjects: 628.5; Pollutants -- Analysis; TECHNOLOGY & ENGINEERING / Environmental / General; Electronic books
• Languages: English
• ISBNs: 9781351461443; 1351461443
• Related ISBNs: 9780873719384
• Notes: Note: Includes bibliographical references and index.; Note: Online resource; title from PDF title page (EBSCO, viewed May 22, 2018).
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.