Handbook for estimating physicochemical properties of organic compounds

著者

書誌事項

Handbook for estimating physicochemical properties of organic compounds

Martin Reinhard, Axel Drefahl

Wiley, c1999

  • : book/CD-ROM set
  • : [book]
  • : CD-ROM

タイトル別名

Toolkit for estimating physicochemical properties of organic compounds

大学図書館所蔵 件 / 全2件

この図書・雑誌をさがす

注記

"A Wiley-Interscience Publication"

Accompanied by 1 CD-ROM: Toolkit for estimating physicochemical properties of organic compounds / Martin Reinhard, Axel Drefahl ; software developed by Peter Baričič, and Martin Mackov

CD-ROM: System requirements: IBM-compatible PC 486, Win95 or higher, CD-ROM drive and 8MB RAM, 18MB free hard disk space for minimum installation

Includes bibliographical references and index

内容説明・目次

巻冊次

: book/CD-ROM set ISBN 9780471172635

内容説明

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

目次

Overview of Property Estimation Methods Computable Molecular Descriptors Density and Molar Volume Refractive Index and Molar Refraction Surface Tension and Parachor Dynamic and Kinematic Viscosity Vapor Pressure Enthalpy of Vaporization Boiling Point Melting Point
巻冊次

: [book] ISBN 9780471172642

内容説明

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)

目次

Overview of Property Estimation Methods. Computable Molecular Descriptors. Density and Molar Volume. Refractive Index and Molar Refraction. Surface Tension and Parachor. Dynamic and Kinematic Viscosity. Vapor Pressure. Enthalpy of Vaporization. Boiling Point. Melting Point. Aqueous Solubility. Air-Water Partition Coefficient. 1-Octanol-Water Partition Coefficient. Soil-Water Partition Coefficient. Appendices. Index.
巻冊次

: CD-ROM ISBN 9780471194927

内容説明

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

「Nielsen BookData」 より

詳細情報

ページトップへ