Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Activity coefficients at infinite dilution for organic solutes and water in 1-ethyl-1-methylpyrrolidinium lactate

Domanska, U.[Urszula], Karpinska, M.[Monika], Zawadzki, M.[Maciej]
J. Chem. Thermodyn. 2015, 89, 127-133
ABSTRACT
Synthesis of new ionic liquid 1-ethyl-1-methylpyrrolidinium lactate (racemate), [EMPYR][Lac] was performed. The characterization of the new compound by NMR spectra, elementary analysis, water content, and TG/DTA is presented. The activity coefficients at infinite dilution, c1 13, for 54 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, ethers, ketones, acetonitrile, pyridine, 1-nitropropane, thiophene, and esters in the [EMPYR][Lac] were determined by gas liquid chromatography for most of the solutes at eight temperatures within the range of (308.15 to 378.15) K and for alcohols and water at higher temperatures in a range of (358.15 to 408.15) K. The partial molar excess Gibbs energy, DGE;1 1 , enthalpy DHE;1 1 , and entropy term TrefDSE;1 1 at infinite dilution were calculated from the experimental c1 13 values obtained over the temperature range. The values of selectivity for few separation problems as hexane/hex-1-ene, cyclohexane/cyclohexene and hexane/benzene were calculated from c1 13 and compared to literature values for pyrrolidinium-based ionic liquids (ILs) on the same separation problems. In comparison with the former measured ILs, the [EMPYR][Lac] presents quite high selectivity for the separation of alkenes from aliphatic hydrocarbons, an average capacity for alkenes. The data presented here shows that [EMPYR][Lac] may be proposed as an alternative solvent for the separation of alkenes from the aliphatic hydrocarbons.
Compounds
# Formula Name
1 C10H21NO3 1-ethyl-1-methylpyrrolidinium lactate
2 C6H14 hexane
3 C6H14 3-methylpentane
4 C7H16 heptane
5 C8H18 octane
6 C8H18 2,2,4-trimethylpentane
7 C9H20 nonane
8 C10H22 decane
9 C5H10 cyclopentane
10 C6H12 cyclohexane
11 C7H14 methylcyclohexane
12 C7H14 cycloheptane
13 C8H16 cyclooctane
14 C6H12 hex-1-ene
15 C6H10 cyclohexene
16 C7H14 1-heptene
17 C8H16 oct-1-ene
18 C10H20 1-decene
19 C5H8 1-pentyne
20 C6H10 1-hexyne
21 C7H12 1-heptyne
22 C8H14 1-octyne
23 C6H6 benzene
24 C7H8 toluene
25 C8H10 ethylbenzene
26 C8H10 1,2-dimethylbenzene
27 C8H10 1,3-dimethylbenzene
28 C8H10 1,4-dimethylbenzene
29 C3H6O acetone
30 C5H10O pentan-2-one
31 C5H10O pentan-3-one
32 C6H12O 2-hexanone
33 C6H12O 3-hexanone
34 C2H3N acetonitrile
35 C5H5N pyridine
36 C3H7NO2 1-nitropropane
37 C4H4S thiophene
38 C4H8O tetrahydrofuran
39 C4H8O2 1,4-dioxane
40 C5H12O 2-methoxy-2-methylpropane
41 C6H14O 2-ethoxy-2-methylpropane
42 C6H14O 2-methoxy-2-methylbutane
43 C4H10O diethyl ether
44 C6H14O dipropyl ether
45 C6H14O diisopropyl ether
46 C8H18O dibutyl ether
47 C3H6O2 methyl ethanoate
48 C4H8O2 methyl propanoate
49 C5H10O2 methyl butanoate
50 C4H8O2 ethyl acetate
51 CH4O methanol
52 C2H6O ethanol
53 C3H8O propan-1-ol
54 C4H10O butan-1-ol
55 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
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 3
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 4
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 5
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 9
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 10
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 11
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 12
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 13
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 14
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 15
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 16
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 17
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 18
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 19
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 20
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 21
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 22
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 23
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 24
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 25
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 26
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 27
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 28
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 29
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 30
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 31
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 32
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 33
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 34
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 35
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 36
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 37
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 38
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 39
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 40
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 41
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 42
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 43
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 44
  • Activity coefficient - 44 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 44; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 45
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 45; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 46
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 46; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 47
  • Activity coefficient - 47 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 47; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 48
  • Activity coefficient - 48 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 48; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 49
  • Activity coefficient - 49 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 49; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 50
  • Activity coefficient - 50 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 50; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 1
  • 51
  • Activity coefficient - 51 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 51; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 52
  • Activity coefficient - 52 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 52; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 53
  • Activity coefficient - 53 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 53; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 54
  • Activity coefficient - 54 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 54; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 55
  • Activity coefficient - 55 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 55; Liquid
  • Liquid
  • Chromatography
  • 5