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

Paramagnetic Ionic Liquid 1-Butyl-3-methylimidazolium Tetrabromidocobaltate(II): Activity Coefficients at Infinite Dilution of Organic Solutes and Crystal Structure

Kozlova, S. A.[Svetlana A.], Verevkin, S. P.[Sergey P.], Heintz, A.[Andreas]
J. Chem. Eng. Data 2009, 54, 5, 1524-1528
ABSTRACT
Activity coefficients at infinite dilution, Ai , of different solutes (alkanes, alkenes, and alkylbenzenes as well as of the linear C1-C6 alcohols) in the paramagnetic ionic liquid 1-butyl-3-methylimidazolium tetrabromidocobaltate( II), (C4MIm)2[CoBr4], have been determined by gas chromatography using the ionic liquid as the stationary phase. The measurements were carried out at different temperatures between (308 and 413) K. From the temperature dependence of the limiting activity coefficients, partial molar excess enthalpies at infinite dilution Hi E, of the solutes in the ionic liquid have been derived. Values of Ai of solutes in the paramagnetic ionic liquid (C4MIm)2[CoBr4] have been compared at 298 K with results of Ai for ionic liquids containing the 1-butyl-3-methylimidazolium cation and different nonmagnetic anions. No significant effects caused by the paramagnetic anion have been observed. Furthermore, the single-crystal X-ray structure has been determined. It crystallizes monoclinic (C2/c), a ) 16.7027(7), b ) 10.3163(4), c ) 15.4136(7) A, and ) 114.246(2) . The structure consists of isolated tetrahedral [CoBr4]2- complex anions and 1-butyl-3- methylimidazolium cations.
Compounds
# Formula Name
1 C16H30Br4CoN4 3-butyl-1-methyl-1H-imidazolium tetrabromocobaltate(II)
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C5H12O pentan-1-ol
7 C6H14O hexan-1-ol
8 C6H6 benzene
9 C7H8 toluene
10 C8H10 ethylbenzene
11 C9H12 propylbenzene
12 C10H14 butylbenzene
13 C11H16 pentylbenzene
14 C8H18 octane
15 C9H20 nonane
16 C10H22 decane
17 C11H24 undecane
18 C12H26 dodecane
19 C8H16 oct-1-ene
20 C10H20 1-decene
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
  • 2
  • 1
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 5