Solubility modelling, solvent effect and preferential solvation of carbendazim in aqueous co-solvent mixtures of N,N-dimethylformamide, methanol, ethanol and n-propanol

Xu, Renjie; Du, Yongqin; Wang, Jian; Farajtabar, Ali; Zhao, Hongkun

doi:10.1016/j.jct.2018.08.001

Cited by 20 publications

(5 citation statements)

References 30 publications

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“…With the development of thermodynamics theory and calculating software technology in recent years, more and more solubility models have emerged. − There are modified Apelblat model, , Van’t Hoff model, , λh model, , Wilson model, , nonrandom two-liquid (NRTL) model, , Jouyban–Acree model, , Combination model of Apelblat–Jouyban–Acree, ,, Combination model of Van't Hoff–Jouyban–Acree ,, and so on. In this work, the modified Apelblat model and Van’t Hoff model were used to simulate solubility data in pure solvents, and the modified Apelblat model, Apelblat–Jouyban–Acree model, and Van’t Hoff–Jouyban–Acree model were adopted to correlate solubility data in mixtures of solvents.…”

Section: Methodsmentioning

confidence: 99%

Solubility Measurement and Correlation of Doxycycline Hyclate in 10 Pure Solvents and Mixtures Solvents at 278.15–323.15 K

et al. 2020

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The solid−liquid phase equilibrium solubility of doxycycline hyclate (DH) in 10 pure organic solvents and cosolvent mixtures DMF (1) + ethanol (2), DMSO (1) + ethanol (2) and acetone (1) + ethanol (2) at a temperature range from 278.15 to 323.15 K was measured and discussed. The results indicated that the experimental mole fraction (x) of DH in 10 neat solvents followed this order: acrylic acid > acetic acid > 1-butanol > 1-pentanol > tetrahydrofuran > isobutyl alcohol > isopropyl alcohol> propanoic acid > acetone > acetonitrile, and temperature affected obviously the solubility especially in acetic acid. Moreover, the experimental mole fraction (x) of DH increased with mass concentration rising of DMF or DMSO in DMF (1) + ethanol (2) or DMSO (1) + ethanol (2), and decreased gradually with mass concentration rising of acetone in acetone (1) + ethanol (2). The experimental solubility in all solvents was correlated better by the modified Apelblat model according to lower values of RAD and RMSD.

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Section: Methodsmentioning

confidence: 99%

Solubility Measurement and Correlation of Doxycycline Hyclate in 10 Pure Solvents and Mixtures Solvents at 278.15–323.15 K

et al. 2020

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“…In addition to the synthesis of organic and organometallic compounds using nonaqueous systems, organic solvents have been used in dissolving and activating of different compounds such as drugs [ 5,6 ] and carbon nanostructures, [ 7,8 ] and dispensability of some nanoparticles, [ 9 ] and even are utilized in the function of some types of enzymes. [ 10 ] Thus, the prediction of the solubility of chemical/biochemical compounds in different organic media is important and needs consideration.…”

Section: Introductionmentioning

confidence: 99%

“…[1] It is worthy to note that the concept of solubility is dependent on temperature and access to a molecular mechanism insight can be possible using a thermodynamic analysis, which is important in pharmaceutical and industrial processes as well. [5] In addition to the synthesis of organic and organometallic compounds using nonaqueous systems, organic solvents have been used in dissolving and activating of different compounds such as drugs [5,6] and carbon nanostructures, [7,8] and dispensability of some nanoparticles, [9] and even are utilized in the function of some types of enzymes. [10] Thus, the prediction of the solubility of chemical/biochemical compounds in different organic media is important and needs consideration.…”

Section: Introductionmentioning

confidence: 99%

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Structure–solubility and solvation energy relationships for propanol in different solvents using structural and empirical scales

Honarasa

Yousefinejad

Nekoeinia

2021

J Chinese Chemical Soc

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Research on the solubility of n‐propanol in different solvents is important because of the wide applications of n‐propanol in cosmetics, cleaning, printing, coatings, and chemical industries. The goal of this research was to investigate the structural or empirical properties of different solvents on the Ostwald solubility coefficient of n‐propanol. In this research, two different approaches, that is, linear solvation energy relationship (LSER) and quantitative structure–property relationship (QSPR), have been used to predict and descript the gas‐solvent partition coefficient of n‐propanol, as its solubility index, in 36 different solvents. In the suggested LSER model, the role of solvent–solute interactions on the solubility of n‐propanol as a physicochemical property can be investigated. In addition to structural features, which were used in the QSPR model, the interpretation of the LSER model showed that the donor number of solvents, modified polarity scale of solvents, and entropy of solvation are three important parameters in the Ostwald solubility coefficient of n‐propanol.

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“…However, the effect of water always is ubiquitous but often overlooked as a background environment in the water and organic solvent. In fact, the preferential solvation of water plays an important role in electrochemical behavior of solute , hydrogen evolution reaction , double layer capacitance , the process of electronic transfer . Exploring preferential solvation of water by electrochemical methods would provide new insights into the effect of water in the field of electrochemical research.…”

Section: Introductionmentioning

confidence: 99%

Study on Preferential Solvation of Water by Electrochemical Method

et al. 2019

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The preferential solvation of water plays an important role in ferrocene research which is a subject of current interest. Voltammetric investigations were carried out for Au electrode in acetonitrile/water, showing preferential solvation of water. In our work, the preferential solvation of water in acetonitrile/water was studied by electrochemical methods including cyclic volitammetry, electrochemical impedance spectra and double‐step chronoamperometry. Ferrocenemethanol (FcCH2OH) molecules as a solute spontaneously adsorb on the electrode surface in anhydrous acetonitrile, resulting from acetonitrile molecules tend to form an acetonitrile solvent layer on the surface of the electrode and acetonitrile solvent layer has a lower energy barrier than the aqueous solvent layer, which has been obtained by modeling solvation. The solvent strongly influences electrochemical behavior of solute. Once there is an amount of water in acetonitrile solvent, FcCH2OH that adsorbed on the electrode surface desorb. This is because water preferentially solvate with FcCH2OH in term of intermolecular forces between solvent and solute. Moreover, hydrogen bond between water molecules and FcCH2OH molecules is stronger than dipole‐dipole interaction between acetonitrile molecules and FcCH2OH molecules in solvation effect. Through electrochemical behavior of FcCH2OH changing, preferential solvation of water is analyzed by electrochemical methods.

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Solubility modelling, solvent effect and preferential solvation of carbendazim in aqueous co-solvent mixtures of N,N-dimethylformamide, methanol, ethanol and n-propanol

Cited by 20 publications

References 30 publications

Solubility Measurement and Correlation of Doxycycline Hyclate in 10 Pure Solvents and Mixtures Solvents at 278.15–323.15 K

Solubility Measurement and Correlation of Doxycycline Hyclate in 10 Pure Solvents and Mixtures Solvents at 278.15–323.15 K

Structure–solubility and solvation energy relationships for propanol in different solvents using structural and empirical scales

Study on Preferential Solvation of Water by Electrochemical Method

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