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

Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent

Nkosi, Nkululeko, Tumba, Kaniki, Ramsuroop, Suresh
J. Chem. Eng. Data 2018, 63, 12, 4502-4512
ABSTRACT
The present work focuses on the application of a deep eutectic solvent (DES) to the separation of liquid mixtures. Experimental activity coefficients at infinite dilution 13 of 23 organic solutes in tetrapropylammonium bromide + 1,6-hexanediol DES were measured by gas-liquid chromatography (GLC) at four temperatures ranging from (313.15 to 343.15) K and atmospheric pressure. The hydrogen bond acceptor-to-hydrogen bond donour molar ratio was 1:2. The effect of molecular structure on the values of 13 was also examined. From experimental limiting activity coefficients, values of partial molar excess enthalpy at infinite dilution ( i
Compounds
# Formula Name
1 C6H14 hexane
2 C7H16 heptane
3 C8H18 octane
4 C5H10 cyclopentane
5 C6H12 cyclohexane
6 C7H14 cycloheptane
7 C8H16 cyclooctane
8 C6H12 hex-1-ene
9 C7H14 1-heptene
10 C7H12 1-heptyne
11 C8H14 1-octyne
12 C2H6O ethanol
13 CH4O methanol
14 C3H8O propan-1-ol
15 C3H8O propan-2-ol
16 C6H6 benzene
17 C7H8 toluene
18 C8H10 ethylbenzene
19 C3H6O acetone
20 C4H8O butanone
21 C4H4S thiophene
22 C5H5N pyridine
23 C3H6O2 methyl ethanoate
24 C4H8O2 ethyl acetate
25 C12H28BrN tetrapropylammonium bromide
26 C6H14O2 1,6-hexanediol
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
  • 25
  • 26
  • 1
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 2
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 3
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 4
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 5
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 9
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 10
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 11
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 13
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 12
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 14
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 15
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 16
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 17
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 18
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 19
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 20
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 21
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 22
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 23
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • 24
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 25
  • 26
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 25; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 25
  • 26
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 25; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1