Determination and correlation of solubility and thermodynamic properties of pyraclostrobin in pure and binary solvents. (October 2016)

• Record Type: Journal Article
• Authors: Yang, Peng; Du, Shichao; Qin, Yujia; Zhao, Kaifei; Li, Kangli; Hou, Baohong; Gong, Junbo
• Is Part Of: Journal of chemical thermodynamics. Volume 101(2016:Oct.)
• Page Start: 84
• Page End: 91
• Publication Date: 2016-10
• Subjects: Pyraclostrobin -- Solubility -- Solubility parameter -- Thermodynamic properties; Thermodynamics -- Periodicals; Thermochemistry -- Periodicals; Thermodynamique -- Périodiques; Thermochimie -- Périodiques; Thermochemistry; Thermodynamics; Periodicals; 541.369
• DOI: 10.1016/j.jct.2016.05.005
• Languages: English
• ISSNs: 0021-9614

Abstract

Highlights: The solubility data of pyraclostrobin in pure and binary solvents were determined and correlated. The theory of solubility parameter was used to explain the cosolvency in binary solvents. A modified mixing rule was proposed to calculate the solubility parameter of binary solvents. The dissolution thermodynamic properties were calculated and discussed. Abstract: The solubility of pyraclostrobin in five pure solvents and two binary solvent mixtures was measured from 283.15 K to 308.15 K using a static analytical method. Solubility in five pure solvents was well correlated by the modified Apelblat equation and Wilson model. While the CNIBS/R–K model was applied to correlate the solubility in two binary solvent mixtures, the correlation showed good agreement with experimental results. The solubility of pyraclostrobin reaches its maximum value at a certain cyclohexane mole fraction in the two binary solvent mixtures. The solubility parameter of pyraclostrobin was calculated by the Fedors method and a new modified mixing rule with preferable applicability was proposed to determine the solubility parameter of solvents. Then the co-solvency in the binary solvent mixtures can be explained based on the obtained solubility parameters. In a addition, the dissolution thermodynamic properties were calculated from the experimental values using the Wilson model.