Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Partitioning of DNP-amino acids in ionic liquid/citrate salt based Aqueous Two-Phase System

Gomez, Elena, Macedo, Eugenia A.
Fluid Phase Equilib. 2019, 484, 82-87
ABSTRACT
In this work, the partitioning of four N-(2,4-dinitrophenyl)-amino acids (DNP-amino acids) in novel Aqueous Two-Phase Systems (ATPS) based on 1-hexyl-3-methylimidazolium dicyanamide (C6Mim DCA) and biodegradable citrate organic salt, is evaluated. Firstly, the tie-lines and respective tie-line lengths for five ATPS (ionic liquid: CnMim DCA with n = 2,3,4 and 6 and C4pyr DCA (1) + sodium citrate tribasic dihydrate (2) + water (3)) were determined at T = 298.15 K and atmospheric pressure. The tie-lines were correlated using Othmer-Tobias and Bancroft equations. The partition coefficients of N-(2,4-Dinitrophenyl)-glycine; N-(2,4-Dinitrophenyl)-l-alanine; N-(2,4-Dinitrophenyl)-l-valine and N-(2,4-Dinitrophenyl)-l-leucine in the {C6Mim DCA (1) + sodium citrate tribasic dihydrate (2) + water (3)} ATPS were measured at T = 298.15 K and atmospheric pressure, aiming to evaluate the influence of the structure of the DNP-amino acids on the partition coefficients.
Compounds
# Formula Name
1 C8H11N5 1-ethyl-3-methylimidazolium dicyanamide
2 C6H5Na3O7 trisodium citrate
3 H2O water
4 C9H13N5 1-methyl-3-propylimidazolium dicyanamide
5 C10H15N5 1-butyl-3-methylimidazolium dicyanamide
6 C12H19N5 1-hexyl-3-methylimidazolium dicyanamide
7 C11H20N4 1-butyl-1-methylpyrrolidinium dicyanamide
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
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • 4
  • POMD
  • 4
  • 2
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • 5
  • POMD
  • 5
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • 5
  • POMD
  • 6
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • 5
  • POMD
  • 7
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • ILs by UV-Vis sprectrophotometry; water gravimetruically after freeze drying; salt by mas balance
  • 5