Toolkit for Estimating Physiochemical Properties of Organic Compounds

Reinhard, Martin; Drefahl, Axel

ISBN 10 : 0471194921 ISBN 13 : 9780471194927

Editeur : Wiley-Interscience, 1999

Synopsis

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

A propos du livre

À propos de l'auteur

MARTIN REINHARD is Professor in the Department of Civil and Environmental Engineering at Stanford University in Stanford, California.

AXEL DREFAHL is affiliated with the Institute for Physical Chemistry at the Technical University/Bergakademie Freiberg in Freiberg, Germany.

Détails de l'édition

• Éditeur: Wiley-Interscience
• Date d'édition: 1999
• Langue: anglais
• ISBN 10: 0471194921
• ISBN 13: 9780471194927
• Reliure: CD-Rom
• Coordonnées du fabricant: non disponible
• Personne responsable: non disponible