Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds Part II: C18 fatty acids

Belting, P. C.[Patricia Castro], Rarey, J.[Jurgen], Gmehling, J.[Jurgen], Ceriani, R.[Roberta], Chiavone-Filho, O.[Osvaldo], Meirelles, A. J. A.[Antonio J. A.]
J. Chem. Thermodyn. 2013, 60, 142-149
ABSTRACT
In this work, activity coefficients at infinite dilution (c1 13) have been measured for 21 solutes (subscript 1) (alkanes, cycloalkanes, alkenes, aromatic compounds, alcohols, esters, ketones, and halogenated hydrocarbons), in four solvents (subscript 3), namely one saturated fatty acid and three unsaturated fatty acids: stearic (octadecanoic) acid C18:0, oleic (cis-9-octadecenoic) acid C18:1 9c, linoleic (cis,cis-9,12- octadecadienoic) acid C18:2 9c12c, and linolenic (cis,cis,cis-9,12,15-octadecatrienoic) acid C18:3 9c12c15c, by gas liquid chromatography. The measurements were carried out at temperatures from (303.13 to 368.19) K and the partial molar excess Gibbs free energy (DGE;1 1 ), enthalpy (DHE;1 1 ), and entropy (DSE;1 1 ), at infinite dilution were calculated from experimental c1 13 values obtained over the temperature range. The uncertainties in determination of c1 13 and DHE;1 1 are 4% and 20%, respectively. The results for stearic acid obtained in this study have been compared to those available in the Dortmund Data Bank (DDB). The real behaviour of fatty systems could be better understood through the results obtained in this work.
Compounds
# Formula Name
1 C18H36O2 octadecanoic acid
2 C18H34O2 (Z)-9-octadecenoic acid
3 C18H32O2 (Z,Z)-9,12-octadecadienoic acid
4 C18H30O2 all-cis-9,12,15-octadecatrienoic acid
5 C6H14 hexane
6 C7H16 heptane
7 C8H18 2,2,4-trimethylpentane
8 C6H12 hex-1-ene
9 C7H8 toluene
10 C6H12 cyclohexane
11 C8H10 ethylbenzene
12 CH4O methanol
13 C2H6O ethanol
14 C3H8O propan-1-ol
15 C4H10O butan-1-ol
16 C3H8O propan-2-ol
17 C4H10O butan-2-ol
18 CHCl3 trichloromethane
19 C2HCl3 trichloroethene
20 C6H5Cl chlorobenzene
21 C2H4Cl2 1,2-dichloroethane
22 C7H7Cl (chloromethyl)benzene
23 C4H8O2 ethyl acetate
24 C3H6O acetone
25 C7H8O anisole
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
  • 5
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 9
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 10
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 11
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 12
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 13
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 14
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 1
  • 15
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 1
  • 16
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 17
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 1
  • 18
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 19
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 20
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 21
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 1
  • 22
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 23
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 1
  • 24
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 25
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 5
  • 2
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 9
  • 2
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 10
  • 2
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 11
  • 2
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 12
  • 2
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 13
  • 2
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 14
  • 2
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 16
  • 2
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 17
  • 2
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 18
  • 2
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 19
  • 2
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 20
  • 2
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 21
  • 2
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 22
  • 2
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 2
  • 23
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 24
  • 2
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 25
  • 2
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mass fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 5
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 9
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 10
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 11
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 12
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 3
  • 13
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 14
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 15
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 3
  • 16
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 17
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 18
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 20
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 21
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 22
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 23
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 24
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 3
  • 25
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 5
  • 4
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 6
  • 4
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 4
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 4
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 9
  • 4
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 10
  • 4
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 12
  • 4
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 13
  • 4
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 14
  • 4
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 1
  • POMD
  • 16
  • 4
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 18
  • 4
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 21
  • 4
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 23
  • 4
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 24
  • 4
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 15
  • 2
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 3