Toolkit for Estimating Physiochemical Properties of Organic Compounds

Quick access to data and fast property estimation techniques for organic compounds.
An invaluable time-saver for busy scientists and researchers, the Toolkit uses algorithms derived from more than 2,700 published sources to calculate these key properties of organic compounds quickly 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, in some cases, temperature-dependent functions. Complete bibliographic citations are included for each property estimation technique, and properties are simultaneously retrieved for approximately 24,000 organic compounds, most of them derived from the Registry of Physicochemical Data.
The Toolkit is flexible and easy-to-use, allowing the user to perform structure and database searches. It contains EndNote 3 Demo Version for searching and viewing an extensive bibliography comprising more than 2,700 references. Structures can be created in CS ChemDrawNet? or imported via clipboard function from other chemical drafting programs using MDL MOLfile format, or imported from 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 CambridgeSoft Corporation. EndNote 3 is a registered trademark of Niles Software, Inc. Registry of Physicochemical Data is a trademark of Synexchem Consulting Services International, LLC.
Also available: Handbook for Estimating Physicochemical Properties of Organic Compounds
Toolkit for Estimating Physicochemical Properties of Organic Compounds

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.