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

Equilibrium Solubility, Model Correlation, and Solvent Effect of Indole-3-acetic Acid in Twelve Pure Solvents

Li, Rongrong, Zhan, Shiyun, Chen, Gang, Jin, Yanxian, Yu, Binbin, Zhao, Jia, Han, Deman, Fan, Huajun
J. Chem. Eng. Data 2019, 64, 4, 1802-1808
ABSTRACT
The Solid-liquid equilibrium of indole-3-acetic acid in pure methanol, ethanol, n-propanol, isopropanol, acetone, n-butanol, acetonitrile, chloroform, ethyl acetate, 1,4-dioxane, N,N-dimethylformamide (DMF) and Dimethyl sulfoxide (DMSO) was measured by using a isothermal saturation method from 278.15 to 323.15 K. The solubility data from high to low was ranked as ethyl acetate greater than DMSO greater than DMF greater than n-butanol greater than acetone greater than isopropanol greater than 1,4-dioxane greater than n-propanol greater than ethanol greater than methanol greater than acetonitrile greater than chloroform. Two thermodynamic models (modified Apelblat equation and U h equation) were used to correlate to the solubility values of indole-3-acetic acid in different monosolvents, and the two equations can correlate the experimental values very well. The values of root-mean-square deviations (RMSD) and relative average deviations (RAD) between the experimental and calculated solubility were not exceeding 0.27 e10-6 and 0.75 e 10-2 respectively. In order to study the effect of solvation interaction on solubility, the solute-solvent and solvent-solvent interactions were discussed.
Compounds
# Formula Name
1 C10H9NO2 2-(1H-indol-3-yl)acetic acid
2 CH4O methanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
5 C2H6O ethanol
6 C4H10O butan-1-ol
7 C3H7NO dimethylformamide
8 C4H8O2 ethyl acetate
9 C2H3N acetonitrile
10 C4H8O2 1,4-dioxane
11 C2H6OS dimethyl sulfoxide
12 CHCl3 trichloromethane
13 C3H6O acetone
14 C7H6O2 benzoic acid
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
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 8
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 7
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 14
  • 5
  • Mole fraction - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 14
  • Chromatography
  • 5