QSPR Analysis for Infinite Dilution Activity Coefficients of Organic Solutes in Ionic Liquids
نویسندگان
چکیده
منابع مشابه
Measurements of activity coefficients at infinite dilution of organic solutes and water on polar imidazolium-based ionic liquids
The activity coefficients at infinite dilution, c13, of 55 organic solutes and water in three ionic liquids with the common cation 1-butyl-3-methylimidazolium and the polar anions Cl , [CH3SO3] and [(CH3)2PO4] , were determined by (gas + liquid) chromatography at four temperatures in the range (358.15 to 388.15) K for alcohols and water, and T = (398.15 to 428.15) K for the other organic solute...
متن کاملActivity Coefficients at Infinite Dilution and Physicochemical Properties for Organic Solutes and Water in the Ionic Liquid 1-Ethyl-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
New data of activity coefficients at infinite dilution, γ13∞, for 65 different solutes including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, aldehydes, esters and water in the ionic liquid 1-ethyl-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, were determined using inverse gas chromatography within the temperature range from...
متن کاملApplication of Genetic Programming in Predicting Infinite Dilution Activity Coefficients of Organic Compounds in Water
In this paper, we calculated 37 structural descriptors of 174 organic compounds. The 154 molecules were used to derive quantitative structure infinite dilution activity coefficient relationship by genetic programming, the other 20 compounds were used to test the model. The result showed that molecular partition property and three-dimensional structural descriptors have significant influence o...
متن کاملEstimation of Infinite Dilution Activity Coefficients of Organic Compounds in Water with Neural Classifiers
A new approach is presented for the development of quantitative structure–property relations (QSPR) based on the extraction of relevant molecular features with self-organizing maps and the use of a modified fuzzy-ARTMAP classifier for variable prediction. The present methodology is demonstrated for the development of a QSPR for the aqueous-phase infinite dilution activity coefficient , based on...
متن کاملPredicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors
Quantitative structure-property relationship (QSPR) models are developed to predict the logarithm of infinite dilution activity coefficient of hydrocarbons, oxygen containing organic compounds and halogenated hydrocarbons in water at 298.15 K. The description of the molecular structure in terms of quantum-connectivity descriptors allows to obtain more simple QSPR models because of the quantum-c...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Electrochemistry
سال: 2009
ISSN: 2186-2451,1344-3542
DOI: 10.5796/electrochemistry.77.745