ABSTRACT

The activity coefficients at infinite dilution for 21 solutes, including alkane, cycloalkane, alkene, aromatic compounds, alcohol, ester, ketone, and halogenated hydrocarbons, in four solvents, that are the saturated fatty acids: capric (decanoic) acid, lauric (dodecanoic) acid, myristic (tetradecanoic) acid, and palmitic (hexadecanoic) acid, were determined by gas-liquid chromatography at temperatures from 314.10 K to 358.33 K. Comparison with previously published for selected solutes in palmitic (hexadecanoic) acid were also performed. The values of the partial molar excess Gibbs free energy, enthalpy and entropy at infinite dilution were calculated from experimental activity coefficients at infinite dilution obtained over the temperature range. Results obtained in this work allow a more accurate description of the real behavior of fatty systems.

Compounds

#	Formula	Name
1	C10H20O2	decanoic acid
2	C12H24O2	dodecanoic acid
3	C14H28O2	tetradecanoic acid
4	C16H32O2	hexadecanoic 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	18 3	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 18; Liquid	Liquid	Chromatography	6
POMD	19 3	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 19; Liquid	Liquid	Chromatography	6
POMD	20 3	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 20; Liquid	Liquid	Chromatography	6
POMD	21 3	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 21; Liquid	Liquid	Chromatography	6
POMD	22 3	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 22; Liquid	Liquid	Chromatography	4
POMD	23 3	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 23; Liquid	Liquid	Chromatography	6
POMD	24 3	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 24; Liquid	Liquid	Chromatography	6
POMD	25 3	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 25; Liquid	Liquid	Chromatography	6
POMD	4 5	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	3
POMD	4 6	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	3
POMD	4 9	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	3
POMD	4 10	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 10; Liquid	Liquid	Chromatography	3
POMD	4 11	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 11; Liquid	Liquid	Chromatography	3
POMD	4 12	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 12; Liquid	Liquid	Chromatography	3
POMD	4 13	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 13; Liquid	Liquid	Chromatography	3
POMD	4 14	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 14; Liquid	Liquid	Chromatography	3
POMD	4 15	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 15; Liquid	Liquid	Chromatography	3
POMD	4 16	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 16; Liquid	Liquid	Chromatography	3
POMD	4 17	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 17; Liquid	Liquid	Chromatography	3
POMD	4 18	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 18; Liquid	Liquid	Chromatography	3
POMD	4 19	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 19; Liquid	Liquid	Chromatography	3
POMD	4 20	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 20; Liquid	Liquid	Chromatography	3
POMD	4 21	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 21; Liquid	Liquid	Chromatography	3
POMD	4 22	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 22; Liquid	Liquid	Chromatography	2
POMD	4 23	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 23; Liquid	Liquid	Chromatography	3
POMD	4 24	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 24; Liquid	Liquid	Chromatography	6
POMD	4 25	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 25; Liquid	Liquid	Chromatography	3
POMD	5 1	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	5
POMD	6 1	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Chromatography	5
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	4
POMD	9 1	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	6
POMD	10 1	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 10; Liquid	Liquid	Chromatography	6
POMD	11 1	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 11; Liquid	Liquid	Chromatography	3
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	5
POMD	14 1	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 14; Liquid	Liquid	Chromatography	6
POMD	15 1	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 15; Liquid	Liquid	Chromatography	4
POMD	16 1	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 16; Liquid	Liquid	Chromatography	6
POMD	17 1	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 17; Liquid	Liquid	Chromatography	6
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	6
POMD	20 1	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 20; Liquid	Liquid	Chromatography	4
POMD	21 1	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 21; Liquid	Liquid	Chromatography	5
POMD	23 1	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 23; Liquid	Liquid	Chromatography	4
POMD	24 1	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 24; Liquid	Liquid	Chromatography	4
POMD	25 1	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 25; Liquid	Liquid	Chromatography	2
POMD	5 2	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	4
POMD	6 2	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Chromatography	6
POMD	2 7	Activity coefficient - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 2; Liquid	Liquid	Chromatography	6
POMD	2 7	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	Chromatography	6
POMD	2 8	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Chromatography	3
POMD	9 2	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	5
POMD	10 2	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 10; Liquid	Liquid	Chromatography	5
POMD	11 2	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 11; Liquid	Liquid	Chromatography	5
POMD	12 2	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 12; Liquid	Liquid	Chromatography	5
POMD	13 2	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 13; Liquid	Liquid	Chromatography	5
POMD	14 2	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 14; Liquid	Liquid	Chromatography	6
POMD	15 2	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 15; Liquid	Liquid	Chromatography	5
POMD	16 2	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 16; Liquid	Liquid	Chromatography	6
POMD	17 2	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 17; Liquid	Liquid	Chromatography	5
POMD	18 2	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 18; Liquid	Liquid	Chromatography	5
POMD	19 2	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 19; Liquid	Liquid	Chromatography	5
POMD	20 2	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 20; Liquid	Liquid	Chromatography	5
POMD	21 2	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 21; Liquid	Liquid	Chromatography	5
POMD	22 2	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 22; Liquid	Liquid	Chromatography	2
POMD	23 2	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 23; Liquid	Liquid	Chromatography	5
POMD	24 2	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 24; Liquid	Liquid	Chromatography	6
POMD	25 2	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 25; Liquid	Liquid	Chromatography	4
POMD	5 3	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	3
POMD	6 3	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Chromatography	5
POMD	7 3	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	Chromatography	3
POMD	3 8	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Chromatography	4
POMD	9 3	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	4
POMD	10 3	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 10; Liquid	Liquid	Chromatography	5
POMD	11 3	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 11; Liquid	Liquid	Chromatography	3
POMD	12 3	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 12; Liquid	Liquid	Chromatography	6
POMD	13 3	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 13; Liquid	Liquid	Chromatography	6
POMD	14 3	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 14; Liquid	Liquid	Chromatography	6
POMD	15 3	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 15; Liquid	Liquid	Chromatography	6
POMD	16 3	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 16; Liquid	Liquid	Chromatography	6
POMD	17 3	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 17; Liquid	Liquid	Chromatography	6

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

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

Belting, P. C.[Patricia C.], Rarey, J.[Juergen], Gmehling, J.[Juergen], Ceriani, R.[Roberta], Chiavone-Filho, O.[Osvaldo], Meirelles, A. J. A.[Antonio J. A.]

ABSTRACT