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

Solubility of d-Aspartic Acid in Several Neat Solvents: Determination, Modeling, and Solvent Effect Analysis

Wu, J.[Jiaxin], Wang, J.[Jian], Zhao, H.[Hongkun]
J. Chem. Eng. Data 2019, 64, 6, 2904-2910
ABSTRACT
The experimental determination of D-aspartic acid solubility in water and organic solvents such as N,N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), N-methyl-2-pyrrolidone (NMP), 1.4-dioxane, ethylene glycol (EG), acetone, ethanol, n-propanol, methanol, isopropanol and n-butanol was made via the shake flask technique. The experiments were carried out from 288.15 K to 333.15 K under ambient pressure p = 101.2 kPa. Values of solubility for D-aspartic acid in the twelve solvents increased as the temperature rised. Highest mole fraction solubility value of D-aspartic acid was observed in DMF and NMP, and lowest, in n-butanol and isopropanol. The solubility values obeyed the order in different solvents: DMF (NMP) greater than DMSO greater than 1.4-dioxane greater than EG greater than acetone greater than water greater than methanol greater than ethanol greater than n-propanol greater than n-butanol (isopropanol). The obtained solubility was described mathematically through the h equation and Apelblat equation. The largest percentage of average relative deviation was 2.6010-2; and the maximum root mean square deviation, 3.8910-4. Moreover, the degree and type of solvent-solute and solvent-solvent interactions were investigated through the linear solvation energy relationship analysis of solvent effect.
Compounds
# Formula Name
1 C4H7NO4 D-aspartic acid
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-2-ol
5 C3H6O acetone
6 C3H8O propan-1-ol
7 C4H10O butan-1-ol
8 C3H7NO dimethylformamide
9 C5H9NO N-methylpyrrolidone
10 C4H8O2 1,4-dioxane
11 C2H6OS dimethyl sulfoxide
12 C2H6O2 1,2-ethanediol
13 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
  • 10
  • POMD
  • 1
  • 3
  • 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
  • 7
  • 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
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 8
  • POMD
  • 1
  • 8
  • 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
  • 1
  • 10
  • 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