Solubility of the Pesticide Monuron in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based upon Mobile Order Theory

Experimental solubilities are reported at 25.0°C for monuron (also called 3-(4-chlorophenyl)-1,1-dimethyl urea) dissolved in 18 different organic nonelectrolyte solvents containing ether-, chloro-, hydroxy-, ester, methyl- and t -butyl-functional groups. Results of these measurements, combined with published literature data, are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 21 nonalcoholic solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 48.4%. Monuron solubilities in the alcohol solvents are used to calculate stability constants for presumed solute-solvent hydrogen bonds that are believed to occur in solution.     

Solubility of Ferrocene in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory

Abstract

Experimental solubilities are reported at 25.0°C for ferrocene dissolved in 46 different organic nonelectrolyte solvents containing ether-, chloro-, hydroxy-, ester, methyl-and t-butyl-functional groups. Results of these measurements, combined with previously reported ferrocene solubilities taken from the chemical literature, are used to test the applications and limitations of expressions derived from mobile order theory. For the 42 solvents for which predictions could be made computations show that mobile order theory does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 107.8%. In comparison, the average absolute deviation is 627% when ideal solution behavior is assumed.     

Binding of Triazine Herbicides to Antibodies in Anhydrous Organic Solvents

Abstract

The binding of atrazine and an atrazine derivative dissolved in various nonpolar organic solvents to immobilized polyclonal antibodies raised against the herbicide was studied. The antibodies immobilized onto immunodyne membranes were stable in chloroform and in buffer for at least 65 hours at room temperature. The apparent binding affinity was lower in the five solvents tested than in buffer, and showed correlation with the polarities of the solvents and with the solubilities of the haptens in the solvents. An increase in the antibody-hapten binding specificity by the use of toluene as the solvent for atrazine, propazine and simazine was observed.     

利用溶解度参数选择有机溶剂提取土壤中多种有机氯农药

采用基团贡献法计算了提取溶剂（正己烷、二氯甲烷、正己烷—甲醇（体积比4：1)、正己烷—丙酮（体积比1：1)、正己烷—二氯甲烷(体积比1：1))和有机氯农药（o,p′—DDT,o．p′—DDE,o,p′—DDD,α—endosubn,endrin,HCB)的色散溶解度参数(δd)、极性溶解度参数(δp)和氢键溶解度参数(δh),运用溶解度参数的理论筛选有机溶剂提取江西红壤中多种有机氯农药：研究表明正己烷—甲醇（体积比4：1)和正己烷—丙酮（体积比1：1)是提取江西红壤中o,p′—DDT,o,p′—DDE,o,p′—DDD多种有机氯农药的最佳提取溶剂（回收率大于82％),对α—endosulfan,endrin,HCB的提取也能满足检测需要（回收率大于75％)。超声波提取的结果验证了溶解度参数预测的合理性。     

Solubility Behavior of Pimozide in Polar and Nonpolar Solvents: Partial Solubility Parameters Approach

The solubility behavior of pimozide in individual solvents ranging from nonpolar to highly polar was studied. For understanding the solute-solvent interactions, the partial solubility parameters concept was utilized. Solutions containing excess drug were shaken in a water bath for 72 hours at 25 °C. After the solutions attained equilibrium, they were filtered and analyzed for drug content. A multiple regression method, using extended Hansen’s partial solubility parameters, was applied to verify the solubilities of pimozide in pure polar and nonpolar solvents and to predict its solubility in untested solvents. The three-parameter approach and the Flory-Huggins size correction term ‘B’ give predictions of solubilities with correlations up to 97%. The four-parameter approach involving proton-donor and proton-acceptor parameters was also used in fitting the solubility data. The correlations are appreciable (94%). Further, the ‘B’ term coupled with four-parameter approach was examined in order to improve the data representation, and resulted in a 1% improvement (98%) in the correlation when compared to the Flory-Huggins size-correction method. The solubility parameter obtained by this method is 10.43 H which is closer to the values obtained by theoretical methods, such as Fedors’ and Hoy’s. The resulting partial solubility parameters are δ _2d =8.85 H, δ _2p =2.17 H, δ _2a =3.15 H, and δ _2b =4.08 H, which give insights into the interaction capability of pimozide and are consistent with its chemical structure. Pimozide is a Lewis base as its δ _2b >δ _2a . The total solubility parameter of pimozide is assigned at 10.43 H. This work demonstrates for the first time the validity of the four-parameter approach coupled with the Flory-Huggins size-correction term and therefore the result is interesting.     

A Simple,Quick, and Precise Procedure for the Determination of Water in Organic Solvents

Abstract

A procedure for the UV/VIS-spectroscopic determination of water by the use of a solvatochromic pyridiniumphenolate betaine is given. The water content of organic solvents is calculated by a two parameter equation from λ_max of the dye. A typical, detection limit is of the order of 1 mg in 1 ml solvent for routine spectrometers. The parameters for the determination of water are given for a number of commonly used solvents.     

Thermodynamics of Mobile Order Theory. Part 4. Comparison of Experimental and Predicted Solubilities for Trans-Stilbene

Abstract

Experimental solubilities are reported for trans-stilbene dissolved in sixteen organic solvents at 25.0°C. Solvents studied contained chloro-, cyano-, hydroxy-, fluoro-, and ether-functional groups. Results of these measurements, combined with previously published solubility data, are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 34 solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable (although by no means perfect) estimates of the saturation mole fraction solubilities. The average absolute deviation between predicted and observed values is circa 20%. The deviation increases significantly to 1,210% when ideal solution behavior is assumed.     

Solubility Measurements of Surfactants and Dissolution of Cytochrome c in 1,1,1,2‐Tetrafluoroethane Modified with Organic Solvents

The solubilities of four surfactants, sodium bis‐2‐ethylhexyl sulfosuccinate (AOT), cetyltrimethylammonium chloride, didodecyldimethylammonium bromide, and n‐dodecyltrimethylammonium chloride in liquid refrigerant 1,1,1,2‐tetrafluoroethane (R134a) modified with methanol, ethanol, and 2‐propanol were measured. The measurements were performed under 25 and 50 bar at 25 °C. The solubility of AOT was as high as 92 mM in R134a with addition of 2% ethanol. Cytochrome c molecules were then verified to be soluble in the AOT‐containing and ethanol‐modified R134a solution. Accordingly, liquid R134a is suggested as a potential extraction solvent for hydrophilic compounds.     

Thermodynamics of Mixtures Containing Organic Carbonates. Part XV. Application of the Kirkwood-Buff Theory to the Study of Interactions in Liquid Mixtures Containing Dialkyl Carbonates and Alkanes,Benzene, CCl4 or 1-Alkanols

Binary liquid mixtures containing a dialkyl carbonate (dimethyl or diethyl carbonate) and organic solvents such as alkanes, benzene, CCl₄, or 1-alkanols were studied within the framework of the Kirkwood-Buff formalism. The Kirkwood-Buff integrals, linear coefficients of preferential solvation and local mole fractions were calculated. Results were interpreted assuming that the mixtures with alkanes or 1-alkanols are not random mixtures, which can be ascribed to the existence of strong dipolar interactions between like molecules. Systems containing benzene or CCl₄ are both random and more ordered because of the charge transfer or dipole/induced dipole interactions between the polar group of the solute (O–CO–O) and the polarizable solvent molecules. The effect of increasing temperature was also examined.     

Solubility of anthracene in binary alcohol + 1-pentanol solvent mixtures at 25°C: Comparison of expressions derived from Mobile Order theory and the Kretschmer-Wiebe association model

A relatively simple expression is developed for predicting the solubility of an inert crystalline solute in binary alcohol + alcohol solvent mixtures based upon the Kretschmer-Wiebe association model. The predictive accuracy of the newlyderived expression is compared to equation(s) derived previously from Mobile Order theory using experimental anthracene solubilities in seven binary alcohol + 1-pentanol solvent mixtures at 25°C, which were measured as part of the present investigation. Computations show that both models accurately describe the solubility behavior of anthracene in the binary solvent systems studied. Average absolute deviations between observed and predicted values were 0.9% and 1.4% for the Kretschmer-Wiebe and Mobile Order predictive equations, respectively.     

Modulation of Electron Injection Dynamics of Ru‐Based Dye/TiO2 System in the Presence of Three Different Organic Solvents: Role of Solvent Dipole Moment and Donor Number

In the present work, femtosecond transient absorption spectroscopy (fs‐TAS) has been employed to investigate the electron injection efficiency (EIE) both from the singlet and triplet excited states of a well‐known ruthenium dye (N719) to the conduction band (CB) of nanostructured TiO₂ in presence of three different organic solvents [γ‐butylactone (GBL), 3‐methoxypropionitrile (MPN), and dimethylformamide (DMF)] with different donor numbers (DNs) and dipole moments (DMs). The DM and DN of a solvent modulates the CB edge energy of TiO₂, and this effect reflects well in the fs‐TAS results, which shows an EIE trend following the order GBL≥MPN?DMF, that is, highest in GBL and lowest in DMF solvent environments. Fs‐TAS results indicate a lower contribution of electron injection from both the singlet and triplet states in DMF, for which the dominant adsorption of DMF molecules on the TiO₂ surface seems to play an important role in the mechanism.