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.

Compounds

#	Formula	Name
1	C19H18ClN3O4	Pyraclostrobin
2	C2H6O	ethanol
3	C3H8O	propan-2-ol
4	C4H10O	butan-1-ol
5	C4H10O	2-methyl-1-propanol
6	C6H12	cyclohexane

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	6
POMD	3 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	6
POMD	4 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	6
POMD	5 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	6
POMD	6 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	6
POMD	3 6 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	55
POMD	4 6 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	55

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination and correlation of solubility and thermodynamic properties of pyraclostrobin in pure and binary solvents

Yang, P.[Peng], Du, S.[Shichao], Qin, Y.[Yujia], Zhao, K.[Kaifei], Li, K.[Kangli], Hou, B.[Baohong], Gong, J.[Junbo]

ABSTRACT