ABSTRACT

A gravimetric method was used to determine the solubility of azoxystrobin in seven mono-solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol and ethyl acetate) and two binary mixed solvents (n-propanol + ethyl acetate and methanol + ethyl acetate) at different temperatures from 288.15 K to 328.15 K. The solubility of azoxystrobin is positively related with temperature in all selected solvents. Moreover, the solubility of azoxystrobin in methanol + ethyl acetate binary mixed solvent reaches a maximum when the mole fraction of ethyl acetate is 0.8, differing from that in n-propanol + ethyl acetate binary mixed solvent. The Apelblat equation, eh equation, CNIBS/R-K equation and NRTL equation were applied to correlate the solubility of azoxystrobin and all of the equations provided good fitting results to the data. In addition, the mixing thermodynamic properties of azoxystrobin in binary mixed solvents were calculated based on the NRTL equation. The results demonstrate that the mixing process in the experimental binary mixed solvents is endothermic and spontaneous.

Compounds

#	Formula	Name
1	C22H17N3O5	azoxystrobin
2	CH4O	methanol
3	C2H6O	ethanol
4	C3H8O	propan-1-ol
5	C3H8O	propan-2-ol
6	C4H10O	butan-1-ol
7	C4H10O	2-methyl-1-propanol
8	C4H8O2	ethyl acetate

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	1 2	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	10
POMD	1 3	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 4	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	13
POMD	1 5	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 6	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 7	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	9
POMD	1 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	13
POMD	1 4 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 8; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	99
POMD	1 2 8	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Solvent: Mole fraction - 8; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	gravimetric	99

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Measurement and Correlation of the Solubility of Azoxystrobin in Seven Monosolvents and Two Different Binary Mixed Solvents

Yang, Haiyan, Zhang, Teng, Xu, Shijie, Han, Dandan, Liu, Shiyuan, Yang, Yang, Du, Shichao, Li, Mingchen, Gong, Junbo

ABSTRACT