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

Solubility and Solvent Effect of Acetamiprid in Thirteen Pure Solvents and Aqueous Solutions of Ethanol

Zhao, X.[Xi], Farajtabar, A.[Ali], Zhao, H.[Hongkun], Han, G.[Gui]
J. Chem. Eng. Data 2019, 64, 8, 3505-3513
ABSTRACT
The solubility determination of acetamiprid dissolved in thirteen pure solvents such as isobutanol, methanol, ethanol, n-butanol, isopropanol, acetone, ethylene glycol (EG), 1-methyl-2-pyrrolidinone (NMP), ethyl acetate, dimethyl sulfoxide (DMSO), 1,4-dioxane, N,N-dimethyl formamide (DMF) and water and binary liquid mixtures (ethanol + water) was carried out using the shake-flask method at the temperatures from 278.15 K to 318.15 K under local atmospheric pressure of 101.2 kPa. The observed values of mole fraction solubility were the highest in DMSO and the lowest in water. A linear solvation energy relationship analysis was carried out to reveal how much and what type intermolecular solvent-solvent and solute-solvent interactions were responsible for the solubility variation in these thirteen neat solvents. The results exhibited that the acetamiprid solubility in these thirteen mono-solvents depends significantly upon Hildebrand parameter and nonspecific dipolarity/polarizability interactions of the solvents. The experimental solubility data in neat solvents were correlated through the Apelblat equation; while in liquid mixtures, through the Apelblat-Jouyban-Acree model, the van't Hoff-Jouyban-Acree model and the Jouyban-Acree model. For the selected neat solvents, the largest values of relative average deviation and root-mean-square deviation were, respectively, 1.77 % and 36.2110-4; and for the mixtures, 5.15 % and 4.8110-4. In the (ethanol + water) mixtures, the log x12 values positively deviated from the average ones of log x12, which showed that the acetamiprid was preferentially solvated by the ethanol.
Compounds
# Formula Name
1 C10H11ClN4 acetamiprid
2 CH4O methanol
3 C2H6O ethanol
4 C4H10O 2-methyl-1-propanol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C3H6O acetone
8 C2H6O2 1,2-ethanediol
9 C5H9NO N-methylpyrrolidone
10 C4H8O2 ethyl acetate
11 C2H6OS dimethyl sulfoxide
12 C4H8O2 1,4-dioxane
13 C3H7NO dimethylformamide
14 H2O water
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
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 14
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 7
  • POMD
  • 1
  • 3
  • 14
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99