Author: Martin Reinhard Publisher: Wiley-Interscience ISBN: Category : Science Languages : en Pages : 248
Book Description
A comprehensive compendium of published property estimation techniques for organic compounds. For scientists and engineers seeking to estimate properties of compounds, this time-saving Handbook brings together in one compact volume a vast array of property estimation methods from more than 2,700 published sources for calculating these and many other properties of organic compounds: * Density and molar volume * Boiling point * Refractive index and molar refraction * Melting point * Surface tension and parachor * Water solubility * Viscosity * * Air/water partition coefficient * Vapor pressure * Octanol/water partition coefficient * Enthalpy of vaporization * Soil/water partition coefficient. The property estimation techniques detailed in the Handbook have been chosen for their broad applicability and practical value. The discussion of each estimating technique includes a clear exposition of the technique, including classes of compounds for which it is applicable and critical consideration of its strengths and weaknesses, as well as many worked-out examples demonstrating the technique. The Handbook can be used on its own or in tandem with the Toolkit for Estimating Physicochemical Properties of Organic Compounds, an easy-to-use, Windows(r)-based program that puts rapid estimation routines and flexible search capabilities at the user's fingertips. The Toolkit CD features routines for estimating key properties of organic compounds and a database of property and other data for more than 24,000 organic compounds. Also available: Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-19492-1 (CD-ROM) * Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-17263-4 (book/CD-ROM set)
Author: Martin Reinhard Publisher: Wiley-Interscience ISBN: 9780471172635 Category : Science Languages : en Pages : 0
Book Description
Quick access to data and fast property estimation techniques fororganic compounds. An invaluable time-saver for busy scientists and researchers, theToolkit uses algorithms derived from more than 2,700 publishedsources to calculate these key properties of organic compoundsquickly and easily: * Density and molar volume * Boiling point * Refractive index and molar refraction * Melting point * Surface tension and parachor * Water solubility * Viscosity * Air/water partition coefficient * Vapor pressure * Octanol/water partition coefficient * Enthalpy of vaporization * Soil/water partition coefficient. These properties can be estimated using published methods and, insome cases, temperature-dependent functions. Complete bibliographiccitations are included for each property estimation technique, andproperties are simultaneously retrieved for approximately 24,000organic compounds, most of them derived from the Registry ofPhysicochemical Data. The Toolkit is flexible and easy-to-use, allowing the user toperform structure and database searches. It contains EndNote 3 DemoVersion for searching and viewing an extensive bibliographycomprising more than 2,700 references. Structures can be created inCS ChemDrawNet or imported via clipboard function from otherchemical drafting programs using MDL MOLfile format, or importedfrom disk as MDL MOLfiles. Minimum system requirements. IBM-compatible PC 486 * Win95(r) or higher * CD-ROM drive and 8MB RAM * 18MB free hard disk space for minimum installation. CS ChemDrawNet is a registered trademark of CambridgeSoftCorporation. EndNote 3 is a registered trademark of Niles Software,Inc. Registry of Physicochemical Data is a trademark of SynexchemConsulting Services International, LLC. Also available: * Handbook for Estimating Physicochemical Properties of OrganicCompounds Toolkit for Estimating Physicochemical Properties of OrganicCompounds
Author: Donald Mackay Publisher: CRC Press ISBN: 9781566706872 Category : Science Languages : en Pages : 1000
Book Description
Transport and transformation processes are key for determining how humans and other organisms are exposed to chemicals. These processes are largely controlled by the chemicals’ physical-chemical properties. This new edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is a comprehensive series in four volumes that serves as a reference source for environmentally relevant physical-chemical property data of numerous groups of chemical substances. The handbook contains physical-chemical property data from peer-reviewed journals and other valuable sources on over 1200 chemicals of environmental concern. The handbook contains new data on the temperature dependence of selected physical-chemical properties, which allows scientists and engineers to perform better chemical assessments for climatic conditions outside the 20–25-degree range for which property values are generally reported. This second edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is an essential reference for university libraries, regulatory agencies, consultants, and industry professionals, particularly those concerned with chemical synthesis, emissions, fate, persistence, long-range transport, bioaccumulation, exposure, and biological effects of chemicals in the environment. This resource is also available on CD-ROM
Author: Philip H. Howard Publisher: CRC Press ISBN: 9781566702270 Category : Science Languages : en Pages : 2122
Book Description
If your work requires that you understand environmentally important properties of chemicals, then this databook will make your job easier. By providing you with easily accessed information on the structure and physical/chemical properties of more than 13,000 environmentally important chemicals, Handbook of Physical Properties of Organic Chemicals simplifies the task of locating and analyzing common and obscure compounds alike. One best experimental value is selected or an estimated value provided for: Melting point Boiling point Water solubility Octanol/water partition coefficient (log) Vapor pressure Disassociation constant Henry's law constant. These physical properties were identified from Syracuse Research Corporation's Environmental Fate Database, particularly from the DATALOG and CHEMFATE files.
Author: Donald Mackay Publisher: CRC Press ISBN: 1420044397 Category : Science Languages : en Pages : 4216
Book Description
CHOICE Award Winner Transport and transformation processes are key for determining how humans and other organisms are exposed to chemicals. These processes are largely controlled by the chemicals’ physical-chemical properties. This new edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is a comprehensive series in four volumes that serves as a reference source for environmentally relevant physical-chemical property data of numerous groups of chemical substances. The handbook contains physical-chemical property data from peer-reviewed journals and other valuable sources on over 1200 chemicals of environmental concern. The handbook contains new data on the temperature dependence of selected physical-chemical properties, which allows scientists and engineers to perform better chemical assessments for climatic conditions outside the 20–25-degree range for which property values are generally reported. This second edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is an essential reference for university libraries, regulatory agencies, consultants, and industry professionals, particularly those concerned with chemical synthesis, emissions, fate, persistence, long-range transport, bioaccumulation, exposure, and biological effects of chemicals in the environment. This resource is also available on CD-ROM
Author: C.J. van Leeuwen Publisher: Springer Science & Business Media ISBN: 1402061013 Category : Science Languages : en Pages : 706
Book Description
At last – a second edition of this hugely important text that reflects the progress and experience gained in the last decade and aims at providing background and training material for a new generation of risk assessors. The authors offer an introduction to risk assessment of chemicals as well as basic background information on sources, emissions, distribution and fate processes for the estimation of exposure of plant and animal species in the environment and humans exposed via the environment, consumer products, and at the workplace. The coverage describes the basic principles and methods of risk assessment within their legislative frameworks (EU, USA, Japan and Canada).
Author: Edward Baum Publisher: CRC Press ISBN: 1351461443 Category : Science Languages : en Pages : 404
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.
Author: Martin Reinhard
Author: Martin Reinhard
Author: Donald Mackay
Author: Philip H. Howard
Author: Warren J. Lyman
Author: Donald Mackay
Author: Warren J. Lyman
Author: C.J. van Leeuwen
Author: Edward Baum
Author: Donald Mackay