The quantitative structure–property relationship (QSPR) method is used to develop the correlation between structures of crude oil hydrocarbons (80 compounds) and their boiling point and water solubility. Sub-structural molecular fragments (SMF) calculated from structure alone were used to represent molecular structures. A subset of the calculated fragments selected using stepwise regression (fo...

Description colorless liquid Molecular formula C2Cl4 Molecular weight 165.83 Density 1.6227 g/cm @ 20°C Boiling point 121°C Melting point -19°C Vapor pressure 18.47 mm Hg @ 25°C Flashpoint unknown Explosive limits unknown Solubility soluble in alcohol, ether, chloroform, benzene and hexane; practically insoluble in water Odor threshold 47 ppm (geometric mean) (AIHA, 1989) Odor description color...

A brief review of recent low gravity boiling research by investigators based in the United States is performed. Topics covered include bubble dynamics, nucleate pool boiling and CHF, transition boiling, boiling of mixtures, electric ˆeld eŠects, acoustic ˆeld eŠects, and ‰ow boiling. Planned research activities and recommendations for future

Motivation. In the past, molecular similarity spaces have been developed from arbitrary sets of molecular properties or theoretical descriptors and the results of property estimation based on these methods have always been inferior to SAR and QSAR models. Tailored QMSA methods attempt to create similarity spaces specific for a property of interest, rather than being purely arbitrary spaces char...

A quantitative structure-property relationship (QSPR) analysis of aliphatic alcohols is presented. Four physicochemical properties were studied: boiling point (BP), n-octanol-water partition coefficient (lg P(OW)), water solubility (lg W) and the chromatographic retention indices (RI) on different polar stationary phases. In order to investigate the quantitative structure-property relationship ...