ABSTRACT

Partition coefficients of 51 organic compounds in two ionic liquids (IL), 1-ethyl-3-methylimidazolium dicyanamide and trimethylhexylammonium bis((trifluoromethyl)sulfonyl)amide, were measured using inverse gas chromatography from (322.5 to 352.5) K. These partition coefficients were converted into water-to-IL partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with cation-specific and anion-specific equation coefficients. The derived equations correlated the experimental gas-to-IL and water-to-IL partition coefficient data to within (0.12 and 0.14) log units, respectively.

Compounds

#	Formula	Name
1	C6H14	hexane
2	C8H11N5	1-ethyl-3-methylimidazolium dicyanamide
3	C6H14	3-methylpentane
4	C7H16	heptane
5	C8H18	2,2,4-trimethylpentane
6	C8H18	octane
7	C9H20	nonane
8	C10H22	decane
9	C11H24	undecane
10	C12H26	dodecane
11	C13H28	tridecane
12	C14H30	tetradecane
13	C6H12	methylcyclopentane
14	C6H12	cyclohexane
15	C7H14	methylcyclohexane
16	C7H14	cycloheptane
17	C6H6	benzene
18	C7H8	toluene
19	C8H10	ethylbenzene
20	C8H10	1,3-dimethylbenzene
21	C8H10	1,4-dimethylbenzene
22	C8H10	1,2-dimethylbenzene
23	C6H12	hex-1-ene
24	C6H10	1-hexyne
25	C7H12	1-heptyne
26	C4H8O	butanone
27	C5H10O	pentan-2-one
28	C5H10O	pentan-3-one
29	C4H8O2	1,4-dioxane
30	CH4O	methanol
31	C2H6O	ethanol
32	C3H8O	propan-1-ol
33	C3H8O	propan-2-ol
34	C4H10O	2-methyl-1-propanol
35	C4H10O	butan-1-ol
36	C2H3F3O	2,2,2-trifluoroethanol
37	C4H10O	diethyl ether
38	C6H14O	diisopropyl ether
39	CHCl3	trichloromethane
40	CH2Cl2	dichloromethane
41	CCl4	tetrachloromethane
42	C2H3N	acetonitrile
43	CH3NO2	nitromethane
44	C3H7NO2	1-nitropropane
45	C6H15N	triethylamine
46	C5H5N	pyridine
47	C4H4S	thiophene
48	CH2O	methanal
49	C3H6O	propanal
50	C4H8O	butanal
51	C11H22F6N2O4S2	hexyltrimethylammonium bis[(trifluoromethyl)sulfonyl]imide
52	C4H8O2	ethyl acetate
53	C4H8O	tetrahydrofuran

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 - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid	Liquid Gas	Chromatography	3
POMD	3 2	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid	Liquid Gas	Chromatography	3
POMD	4 2	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Mole fraction - 4; Liquid	Liquid Gas	Chromatography	3
POMD	5 2	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Mole fraction - 5; Liquid	Liquid Gas	Chromatography	3
POMD	6 2	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Mole fraction - 6; Liquid	Liquid Gas	Chromatography	3
POMD	7 2	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Mole fraction - 7; Liquid	Liquid Gas	Chromatography	3
POMD	8 2	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Mole fraction - 8; Liquid	Liquid Gas	Chromatography	3
POMD	9 2	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Mole fraction - 9; Liquid	Liquid Gas	Chromatography	3
POMD	10 2	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Mole fraction - 10; Liquid	Liquid Gas	Chromatography	3
POMD	11 2	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Mole fraction - 11; Liquid	Liquid Gas	Chromatography	3
POMD	12 2	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Mole fraction - 12; Liquid	Liquid Gas	Chromatography	3
POMD	13 2	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Mole fraction - 13; Liquid	Liquid Gas	Chromatography	3
POMD	14 2	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Mole fraction - 14; Liquid	Liquid Gas	Chromatography	3
POMD	15 2	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Mole fraction - 15; Liquid	Liquid Gas	Chromatography	3
POMD	16 2	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Mole fraction - 16; Liquid	Liquid Gas	Chromatography	3
POMD	17 2	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Mole fraction - 17; Liquid	Liquid Gas	Chromatography	3
POMD	18 2	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Mole fraction - 18; Liquid	Liquid Gas	Chromatography	3
POMD	19 2	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Mole fraction - 19; Liquid	Liquid Gas	Chromatography	3
POMD	20 2	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Mole fraction - 20; Liquid	Liquid Gas	Chromatography	3
POMD	21 2	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Mole fraction - 21; Liquid	Liquid Gas	Chromatography	3
POMD	22 2	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Mole fraction - 22; Liquid	Liquid Gas	Chromatography	3
POMD	23 2	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Mole fraction - 23; Liquid	Liquid Gas	Chromatography	3
POMD	24 2	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Mole fraction - 24; Liquid	Liquid Gas	Chromatography	3
POMD	25 2	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Mole fraction - 25; Liquid	Liquid Gas	Chromatography	3
POMD	26 2	Activity coefficient - 26 ; Liquid	Temperature, K; Liquid	Mole fraction - 26; Liquid	Liquid Gas	Chromatography	3
POMD	27 2	Activity coefficient - 27 ; Liquid	Temperature, K; Liquid	Mole fraction - 27; Liquid	Liquid Gas	Chromatography	3
POMD	28 2	Activity coefficient - 28 ; Liquid	Temperature, K; Liquid	Mole fraction - 28; Liquid	Liquid Gas	Chromatography	3
POMD	29 2	Activity coefficient - 29 ; Liquid	Temperature, K; Liquid	Mole fraction - 29; Liquid	Liquid Gas	Chromatography	3
POMD	30 2	Activity coefficient - 30 ; Liquid	Temperature, K; Liquid	Mole fraction - 30; Liquid	Liquid Gas	Chromatography	3
POMD	31 2	Activity coefficient - 31 ; Liquid	Temperature, K; Liquid	Mole fraction - 31; Liquid	Liquid Gas	Chromatography	3
POMD	32 2	Activity coefficient - 32 ; Liquid	Temperature, K; Liquid	Mole fraction - 32; Liquid	Liquid Gas	Chromatography	3
POMD	33 2	Activity coefficient - 33 ; Liquid	Temperature, K; Liquid	Mole fraction - 33; Liquid	Liquid Gas	Chromatography	3
POMD	34 2	Activity coefficient - 34 ; Liquid	Temperature, K; Liquid	Mole fraction - 34; Liquid	Liquid Gas	Chromatography	3
POMD	35 2	Activity coefficient - 35 ; Liquid	Temperature, K; Liquid	Mole fraction - 35; Liquid	Liquid Gas	Chromatography	3
POMD	36 2	Activity coefficient - 36 ; Liquid	Temperature, K; Liquid	Mole fraction - 36; Liquid	Liquid Gas	Chromatography	3
POMD	37 2	Activity coefficient - 37 ; Liquid	Temperature, K; Liquid	Mole fraction - 37; Liquid	Liquid Gas	Chromatography	3
POMD	38 2	Activity coefficient - 38 ; Liquid	Temperature, K; Liquid	Mole fraction - 38; Liquid	Liquid Gas	Chromatography	3
POMD	39 2	Activity coefficient - 39 ; Liquid	Temperature, K; Liquid	Mole fraction - 39; Liquid	Liquid Gas	Chromatography	3
POMD	40 2	Activity coefficient - 40 ; Liquid	Temperature, K; Liquid	Mole fraction - 40; Liquid	Liquid Gas	Chromatography	3
POMD	41 2	Activity coefficient - 41 ; Liquid	Temperature, K; Liquid	Mole fraction - 41; Liquid	Liquid Gas	Chromatography	3
POMD	42 2	Activity coefficient - 42 ; Liquid	Temperature, K; Liquid	Mole fraction - 42; Liquid	Liquid Gas	Chromatography	3
POMD	43 2	Activity coefficient - 43 ; Liquid	Temperature, K; Liquid	Mole fraction - 43; Liquid	Liquid Gas	Chromatography	3
POMD	44 2	Activity coefficient - 44 ; Liquid	Temperature, K; Liquid	Mole fraction - 44; Liquid	Liquid Gas	Chromatography	3
POMD	45 2	Activity coefficient - 45 ; Liquid	Temperature, K; Liquid	Mole fraction - 45; Liquid	Liquid Gas	Chromatography	3
POMD	46 2	Activity coefficient - 46 ; Liquid	Temperature, K; Liquid	Mole fraction - 46; Liquid	Liquid Gas	Chromatography	3
POMD	47 2	Activity coefficient - 47 ; Liquid	Temperature, K; Liquid	Mole fraction - 47; Liquid	Liquid Gas	Chromatography	3
POMD	48 2	Activity coefficient - 48 ; Liquid	Temperature, K; Liquid	Mole fraction - 48; Liquid	Liquid Gas	Chromatography	3
POMD	49 2	Activity coefficient - 49 ; Liquid	Temperature, K; Liquid	Mole fraction - 49; Liquid	Liquid Gas	Chromatography	3
POMD	50 2	Activity coefficient - 50 ; Liquid	Temperature, K; Liquid	Mole fraction - 50; Liquid	Liquid Gas	Chromatography	3
POMD	1 51	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid	Liquid Gas	Chromatography	3
POMD	3 51	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid	Liquid Gas	Chromatography	3
POMD	4 51	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Mole fraction - 4; Liquid	Liquid Gas	Chromatography	3
POMD	5 51	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Mole fraction - 5; Liquid	Liquid Gas	Chromatography	3
POMD	6 51	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Mole fraction - 6; Liquid	Liquid Gas	Chromatography	3
POMD	7 51	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Mole fraction - 7; Liquid	Liquid Gas	Chromatography	3
POMD	8 51	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Mole fraction - 8; Liquid	Liquid Gas	Chromatography	3
POMD	9 51	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Mole fraction - 9; Liquid	Liquid Gas	Chromatography	3
POMD	10 51	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Mole fraction - 10; Liquid	Liquid Gas	Chromatography	3
POMD	11 51	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Mole fraction - 11; Liquid	Liquid Gas	Chromatography	3
POMD	12 51	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Mole fraction - 12; Liquid	Liquid Gas	Chromatography	3
POMD	13 51	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Mole fraction - 13; Liquid	Liquid Gas	Chromatography	3
POMD	14 51	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Mole fraction - 14; Liquid	Liquid Gas	Chromatography	3
POMD	15 51	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Mole fraction - 15; Liquid	Liquid Gas	Chromatography	3
POMD	16 51	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Mole fraction - 16; Liquid	Liquid Gas	Chromatography	3
POMD	17 51	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Mole fraction - 17; Liquid	Liquid Gas	Chromatography	3
POMD	18 51	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Mole fraction - 18; Liquid	Liquid Gas	Chromatography	3
POMD	19 51	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Mole fraction - 19; Liquid	Liquid Gas	Chromatography	3
POMD	20 51	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Mole fraction - 20; Liquid	Liquid Gas	Chromatography	3
POMD	21 51	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Mole fraction - 21; Liquid	Liquid Gas	Chromatography	3
POMD	22 51	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Mole fraction - 22; Liquid	Liquid Gas	Chromatography	3
POMD	23 51	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Mole fraction - 23; Liquid	Liquid Gas	Chromatography	3
POMD	24 51	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Mole fraction - 24; Liquid	Liquid Gas	Chromatography	3
POMD	25 51	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Mole fraction - 25; Liquid	Liquid Gas	Chromatography	3
POMD	26 51	Activity coefficient - 26 ; Liquid	Temperature, K; Liquid	Mole fraction - 26; Liquid	Liquid Gas	Chromatography	3
POMD	27 51	Activity coefficient - 27 ; Liquid	Temperature, K; Liquid	Mole fraction - 27; Liquid	Liquid Gas	Chromatography	3
POMD	28 51	Activity coefficient - 28 ; Liquid	Temperature, K; Liquid	Mole fraction - 28; Liquid	Liquid Gas	Chromatography	3
POMD	29 51	Activity coefficient - 29 ; Liquid	Temperature, K; Liquid	Mole fraction - 29; Liquid	Liquid Gas	Chromatography	3
POMD	30 51	Activity coefficient - 30 ; Liquid	Temperature, K; Liquid	Mole fraction - 30; Liquid	Liquid Gas	Chromatography	3
POMD	31 51	Activity coefficient - 31 ; Liquid	Temperature, K; Liquid	Mole fraction - 31; Liquid	Liquid Gas	Chromatography	3
POMD	32 51	Activity coefficient - 32 ; Liquid	Temperature, K; Liquid	Mole fraction - 32; Liquid	Liquid Gas	Chromatography	3
POMD	33 51	Activity coefficient - 33 ; Liquid	Temperature, K; Liquid	Mole fraction - 33; Liquid	Liquid Gas	Chromatography	3
POMD	34 51	Activity coefficient - 34 ; Liquid	Temperature, K; Liquid	Mole fraction - 34; Liquid	Liquid Gas	Chromatography	3
POMD	35 51	Activity coefficient - 35 ; Liquid	Temperature, K; Liquid	Mole fraction - 35; Liquid	Liquid Gas	Chromatography	3
POMD	36 51	Activity coefficient - 36 ; Liquid	Temperature, K; Liquid	Mole fraction - 36; Liquid	Liquid Gas	Chromatography	3
POMD	37 51	Activity coefficient - 37 ; Liquid	Temperature, K; Liquid	Mole fraction - 37; Liquid	Liquid Gas	Chromatography	3
POMD	38 51	Activity coefficient - 38 ; Liquid	Temperature, K; Liquid	Mole fraction - 38; Liquid	Liquid Gas	Chromatography	3
POMD	39 51	Activity coefficient - 39 ; Liquid	Temperature, K; Liquid	Mole fraction - 39; Liquid	Liquid Gas	Chromatography	3
POMD	40 51	Activity coefficient - 40 ; Liquid	Temperature, K; Liquid	Mole fraction - 40; Liquid	Liquid Gas	Chromatography	3
POMD	41 51	Activity coefficient - 41 ; Liquid	Temperature, K; Liquid	Mole fraction - 41; Liquid	Liquid Gas	Chromatography	3
POMD	42 51	Activity coefficient - 42 ; Liquid	Temperature, K; Liquid	Mole fraction - 42; Liquid	Liquid Gas	Chromatography	3
POMD	43 51	Activity coefficient - 43 ; Liquid	Temperature, K; Liquid	Mole fraction - 43; Liquid	Liquid Gas	Chromatography	3
POMD	44 51	Activity coefficient - 44 ; Liquid	Temperature, K; Liquid	Mole fraction - 44; Liquid	Liquid Gas	Chromatography	3
POMD	45 51	Activity coefficient - 45 ; Liquid	Temperature, K; Liquid	Mole fraction - 45; Liquid	Liquid Gas	Chromatography	3
POMD	46 51	Activity coefficient - 46 ; Liquid	Temperature, K; Liquid	Mole fraction - 46; Liquid	Liquid Gas	Chromatography	3
POMD	47 51	Activity coefficient - 47 ; Liquid	Temperature, K; Liquid	Mole fraction - 47; Liquid	Liquid Gas	Chromatography	3
POMD	48 51	Activity coefficient - 48 ; Liquid	Temperature, K; Liquid	Mole fraction - 48; Liquid	Liquid Gas	Chromatography	3
POMD	49 51	Activity coefficient - 49 ; Liquid	Temperature, K; Liquid	Mole fraction - 49; Liquid	Liquid Gas	Chromatography	3
POMD	50 51	Activity coefficient - 50 ; Liquid	Temperature, K; Liquid	Mole fraction - 50; Liquid	Liquid Gas	Chromatography	3
POMD	52 51	Activity coefficient - 52 ; Liquid	Temperature, K; Liquid	Mole fraction - 52; Liquid	Liquid Gas	Chromatography	3
POMD	53 51	Activity coefficient - 53 ; Liquid	Temperature, K; Liquid	Mole fraction - 53; Liquid	Liquid Gas	Chromatography	3

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

Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography

Mutelet, F.[Fabrice], Revelli, A.-L.[Anne-Laure], Jaubert, J.-N.[Jean-Noel], Sprunger, L. M.[Laura M.], Acree, Jr., W. E.[William E.], Baker, G. A.[Gary A.]

ABSTRACT