Abraham model correlations for describing the partition of organic compounds from water into the methyl ethyl ketone extraction solvent
TL;DR: Experimental water-to-methyl ethyl ketone partition coefficients have been determined for 34 different organic solutes at ambient room temperature based on gas-liquid chromatographic measurements as mentioned in this paper.
Abstract: Experimental water-to-methyl ethyl ketone partition coefficients have been determined for 34 different organic solutes at ambient room temperature based on gas–liquid chromatographic measurements
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TL;DR: Abraham model correlations have been used to predict a number of very important chemical and thermodynamic properties including partition coefficients, molar solubility ratios, gas-liquid chromatographic and HPLC retention data, infinite dilution activity coefficients and molar enthalpies of solvation as discussed by the authors .
Abstract: Abraham model L solute descriptors have been determined for 149 additional C11 to C42 monomethylated and polymethylated alkanes based on published Kovat’s retention indices based upon gas–liquid chromatographic measurements. The calculated solute descriptors, in combination with previously published Abraham model correlations, can be used to predict a number of very important chemical and thermodynamic properties including partition coefficients, molar solubility ratios, gas–liquid chromatographic and HPLC retention data, infinite dilution activity coefficients, molar enthalpies of solvation, standard molar vaporization and sublimation at 298 K, vapor pressures, and limiting diffusion coefficients. The predictive computations are illustrated by estimating both the standard molar enthalpies of sublimation and the enthalpies of solvation in benzene for the monomethylated and polymethylated alkanes considered in the current study.
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TL;DR: In this article, a gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for two saturated (2,2,4-trimethylpentane, cyclooctane) and three unsaturated hydrocarbons (1,7-octadiene, 1-hexyne, 4-vinyl-1-cyclohexene), one aromatic hydrocarbon (propylbenzene), and one haloalkane (1-3-dichloropropane) dissolved
Abstract: A gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for two saturated (2,2,4-trimethylpentane, cyclooctane) and 3 unsaturated hydrocarbons (1,7-octadiene, 1-hexyne, 4-vinyl-1-cyclohexene), one aromatic hydrocarbon (propylbenzene), one haloalkane (1,3-dichloropropane) and four halobenzenes (fluorobenzene, chlorobenzene, 1,2-dichlorobenzene, bromobenzene), two cyclic ethers (tetrahydrofuran, 1,4-dioxane), two alcohols (1-propanol, 2-propanol), three alkyl acetates (ethyl acetate, butyl acetate, pentyl acetate), and one alkanenitrile (acetonitrile) dissolved in 2-pyrrolidone at 298.15 K. The experimental results of the headspace chromatographic measurements, combined with published solubility and infinite dilution activity coefficient data, were used to derive Abraham model correlations for describing solute transfer into 2-pyrrolidone. Mathematical correlations based on the Abraham model describe the observed partition coefficient and activity coefficient data to within 0.14 log10 units (or less).
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TL;DR: In this article, eleven fruit and vegetable byproducts and two minor crops were screened for industrial polyphenol exploitation potential by determination of their extraction yield, total phenolic content (TPC, Folin-Ciocalteu), and antioxidant activity (NTZ/hypoxanthine superoxide assay, ferric thiocyanate method).
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TL;DR: It is believed date seed concentrates could potentially be an inexpensive source of natural dietary fibre and antioxidants and possibly used as a functional food ingredient.
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TL;DR: A procedure for the prediction of solubilities of drugs and other compounds in a wide range of solvents, based on the Abraham solvation equations, which is especially useful for very hydrophobic compounds such as cholesteryl acetate and cholesterol.
263 citations
TL;DR: The state of the art of the PP-LFER approaches in environmental chemical applications is reviewed, the solute descriptors and system parameters reported in the literature and the availability of their database are summarized, and their calibration and prediction methods are overviewed.
Abstract: Partitioning behavior of organic chemicals has tremendous influences on their environmental distribution, reaction rates, bioaccumulation, and toxic effects. Polyparameter linear free energy relationships (PP-LFERs) have been proven to be useful to characterize the equilibrium partitioning of organic chemicals in various environmental and technical partitioning systems and predict the respective partition coefficients. Over the past decade, PP-LFER solute descriptors for numerous environmentally relevant organic chemicals and system parameters for environmentally important partitioning systems have been determined, extending substantially the applicability of the PP-LFER approaches. However, the information needed for the use of PP-LFERs including descriptors and parameters is scattered over a large number of publications. In this work, we review the state of the art of the PP-LFER approaches in environmental chemical applications. The solute descriptors and system parameters reported in the literature an...
231 citations