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

Solute Partitioning Between 1-n-Butyl-3-methylimidazolium Trifluoromethanesulfonate Ionic Liquid and Supercritical CO2

Planeta, J.[Josef], Karasek, P.[Pavel], Roth, M.[Michal]
J. Chem. Eng. Data 2012, 57, 4, 1064-1071
ABSTRACT
Limiting partition coefficients (K-factors) of a selection of low-to-medium volatility solutes in biphasic 1-n-butyl-3-methylimidazolium trifluoromethanesulfonate ([bmim][TfO]) ionic liquid supercritical carbon dioxide (IL scCO2) system were obtained by capillary column supercritical fluid chromatography (SFC) with [bmim][TfO] as the stationary liquid and scCO2 as the carrier fluid. Solute selection included 24 compounds of diverse volatilities and chemical functionalities and the retention factors were measured within (313.2 to 353.2) K and (7.3 to 23.2) MPa. At a constant temperature, some pressure-tunable selectivity can be obtained through changes in the operating pressure and the scCO2 density. At a fixed temperature and density of CO2, solute partition coefficients were correlated in terms of Abraham s linear solvation energy relationships. Compared to our previous studies with other ILs ([hmim][Tf2N], [bmim][MeSO4], and [thtdp][Cl]), the loss of [bmim][TfO] from the column during the experimental run was markedly lower in the present work.
Compounds
# Formula Name
1 C8H8O acetophenone
2 C6H7N aniline
3 C7H8O anisole
4 C10H8 bicyclo[5.3.0]deca-2,4,6,8,10-pentaene
5 C14H10O2 1,2-diphenylethanedione
6 C7H5NS benzothiazole
7 C9H6O2 1,2-benzopyrone
8 C7H8O 4-methylphenol
9 C12H8S dibenzothiophene
10 C8H11N N,N-dimethylaniline
11 C6H14O hexan-1-ol
12 C8H7N 1H-indole
13 C13H20O .alpha.-ionone
14 C7H9N N-methylaniline
15 C8H10O 1-phenylethanol
16 C8H10O 2-phenylethanol
17 C6H6O phenol
18 C12H8OS phenoxathiin
19 C16H10 pyrene
20 C8H6S benzo[b]thiophene
21 C12H8S2 thianthrene
22 C8H10O2 1,2-dimethoxybenzene
23 CO2 carbon dioxide
24 C9H15F3N2O3S 1-butyl-3-methylimidazolium trifluoromethanesulfonate
25 C10H16O 1,7,7-trimethylbicyclo[2.2.1]-2-heptanone
26 C10H8 naphthalene
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
  • 11
  • 23
  • 24
  • Mole fraction - 11 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 11; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 15
  • 23
  • 24
  • Mole fraction - 15 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 15; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15
  • POMD
  • 16
  • 23
  • 24
  • Mole fraction - 16 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 16; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15
  • POMD
  • 1
  • 23
  • 24
  • Mole fraction - 1 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 1; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 23
  • 13
  • 24
  • Mole fraction - 13 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 13; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 2
  • 23
  • 24
  • Mole fraction - 2 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 12
  • POMD
  • 3
  • 23
  • 24
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15
  • POMD
  • 23
  • 4
  • 24
  • Mole fraction - 4 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15
  • POMD
  • 23
  • 5
  • 24
  • Mole fraction - 5 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 5; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 12
  • POMD
  • 6
  • 23
  • 24
  • Mole fraction - 6 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 6; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 25
  • 23
  • 24
  • Mole fraction - 25 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 25; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 17
  • POMD
  • 7
  • 23
  • 24
  • Mole fraction - 7 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 7; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 23
  • 9
  • 24
  • Mole fraction - 9 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 9; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 14
  • POMD
  • 10
  • 23
  • 24
  • Mole fraction - 10 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 10; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 26
  • 23
  • 24
  • Mole fraction - 26 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 26; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 14
  • 23
  • 24
  • Mole fraction - 14 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 14; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 18
  • POMD
  • 8
  • 23
  • 24
  • Mole fraction - 8 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 8; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 10
  • POMD
  • 23
  • 18
  • 24
  • Mole fraction - 18 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 18; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15
  • POMD
  • 23
  • 19
  • 24
  • Mole fraction - 19 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 19; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 20
  • 23
  • 24
  • Mole fraction - 20 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 20; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 21
  • 23
  • 24
  • Mole fraction - 21 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 21; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 22
  • 23
  • 24
  • Mole fraction - 22 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 22; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 17
  • POMD
  • 12
  • 23
  • 24
  • Mole fraction - 12 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 12; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 17
  • 23
  • 24
  • Mole fraction - 17 ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Mole fraction - 17; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 6