2
0
2010
rei
lei
0
journal
Original
Reis, M.[Marina]
Leitao, R. E.[Ruben E.]
Martins, F.[Filomena]
J. Chem. Eng. Data
2010
2020-09-29
Enthalpies of Solution of 1-Butyl-3-methylimidazolium Tetrafluoroborate in 15 Solvents at 298.15 K
Enthalpies of solution of 1-butyl-3-methylimidazolium tetrafluoroborate, [BMIm]BF4, are reported at 298.15 K in a set of 15 hydrogen bond donor and hydrogen bond acceptor solvents, chosen by their diversity, namely, water, methanol, ethanol, 1,2-ethanediol, 2-choroethanol, 2-methoxyethanol, formamide, propylene carbonate, nitromethane, acetonitrile, dimethyl sulfoxide, acetone, N,N-dimethylformamide, N,N-dimethylacetamide, and aniline. These values are shown to be largely independent of [BMIm]BF4 concentration. The obtained enthalpies of solution vary from very endothermic to quite exothermic, thus showing a very high sensitivity of the enthalpies of solution of [BMIm]BF4 to solvent properties. Solvent effects on the solution process of this IL are analyzed by a quantitative structure-property relationship methodology, using the TAKA equation and a modified equation, which significantly improves the model s predictive ability. The observed differences in the enthalpies of solution are rationalized in terms of the solvent properties found to be relevant, that is, p* and ETN.
10.1021/je9005079
2
55
616-620
1
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99
2
Stated by supplier
2
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
methanol
methyl alcohol
CH4O
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
3
InChI=1S/C2H3N/c1-2-3/h1H3
WEVYAHXRMPXWCK-UHFFFAOYSA-N
acetonitrile
cyanomethane
ethanenitrile
ethanonitrile
methanecarbonitrile
methyl cyanide
C2H3N
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
4
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
ZHNUHDYFZUAESO-UHFFFAOYSA-N
formamide
carbamaldehyde
formimidic acid
methanamide
CH3NO
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
5
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
dimethyl sulfoxide
DMSO
dimethyl sulphoxide
methyl sulfoxide
methylsulfinylmethane
sulfinylbismethane
C2H6OS
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
6
InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
LSBXQLQATZTAPE-UHFFFAOYSA-N
1-butyl-3-methylimidazolium tetrafluoroborate
1-butyl-3-methyl-1H-imidazol-3-ium tetrafluoroborate
1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF4]
1-n-butyl-3-methylimidazolium tetrafluoroborate
C8H15BF4N2
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
7
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
8
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
1,2-ethanediol
1,2-dihydroxyethane
ethane-1,2-diol
ethylene glycol
C2H6O2
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
9
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
SZIFAVKTNFCBPC-UHFFFAOYSA-N
1-chloro-2-hydroxyethane
2-chloroethanol
ethane, 1-chloro-2-hydroxy-
ethylene chlorohydrin
ethylene glycol, chlorohydrin
C2H5ClO
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
10
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
XNWFRZJHXBZDAG-UHFFFAOYSA-N
2-methoxyethan-1-ol
1,2-ethanediol, methyl ether
1,2-ethanediol, monomethyl ether
2-methoxy-1-ethanol
2-methoxyethanol
3-oxa-1-butanol
ethylene glycol methyl ether
ethylene glycol, monomethyl ether
C3H8O2
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
11
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
RUOJZAUFBMNUDX-UHFFFAOYSA-N
4-methyl-1,3-dioxolan-2-one
1,2-propanediyl carbonate
1,2-propylene carbonate
1,3-dioxolan-2-one, 4-methyl-
1-methylethylene carbonate
4-methyl-2-oxo-1,3-dioxolane
cyclic 1,2-propylene carbonate
cyclic methylethylene carbonate
cyclic propylene carbonate
propylene carbonate
C4H6O3
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
12
InChI=1S/CH3NO2/c1-2(3)4/h1H3
LYGJENNIWJXYER-UHFFFAOYSA-N
nitromethane
nitrocarbol
nitromethane [NM]
CH3NO2
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
13
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
CSCPPACGZOOCGX-UHFFFAOYSA-N
acetone
2-propanone
dimethyl ketone
propan-2-one
propanone
pyroacetic ether
C3H6O
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
14
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
ZMXDDKWLCZADIW-UHFFFAOYSA-N
dimethylformamide
DMF
DMFA
N,N-dimethylformamide
N,N-dimethylmethanamide
dimethylformamide (DMF)
C3H7NO
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
15
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
FXHOOIRPVKKKFG-UHFFFAOYSA-N
N,N-dimethylethanamide
N,N-dimethylacetamide
N,N-dimethylacetamide [DMA]
C4H9NO
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
16
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
aniline
aminobenzene
benzeneamine
phenylamine
C6H7N
1
Commercial source
1
99
2
Stated by supplier
2
0.1
1
Not known
1
1
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometric 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
1
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
1
Molality, mol/kg
6
Liquid
1
0.003
1
1
16.6
4
1
0.34
1
0.004
1
1
16.71
4
1
0.14
1
0.005
1
1
16.73
4
1
0.18
1
0.006
1
1
16.89
4
1
0.16
1
0.008
1
1
16.65
4
1
0.13
1
0.009
1
1
16.72
4
1
0.13
1
0.012
2
1
16.56
4
1
0.13
2
1
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
1
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
16.64
4
1
0.2
3
2
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometric 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
1
Molality, mol/kg
6
Liquid
1
0.003
1
1
18.92
4
1
0.15
1
0.006
1
1
18.88
4
1
0.15
1
0.008
1
1
18.58
4
1
0.14
1
0.009
1
1
18.95
4
1
1.27
1
0.012
2
1
18.74
4
1
0.15
1
0.013
2
1
18.87
4
1
0.15
1
0.015
2
1
18.58
4
1
0.14
4
2
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
18.79
4
1
0.54
5
3
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometric 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
3
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
1
Molality, mol/kg
6
Liquid
1
0.004
1
1
-4.7
3
1
0.07
1
0.006
1
1
-4.76
3
1
0.05
1
0.007
1
1
-4.67
3
1
0.11
1
0.009
1
1
-4.74
3
1
0.04
1
0.012
2
1
-4.72
3
1
0.04
1
0.013
2
1
-4.67
3
1
0.04
1
0.014
2
1
-4.68
3
1
0.05
6
3
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
3
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-4.72
3
1
0.11
7
4
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometric 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
4
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
1
Molality, mol/kg
6
Liquid
1
0.003
1
1
6.94
3
1
0.13
1
0.004
1
1
7.07
3
1
0.13
1
0.005
1
1
7.1
3
1
0.13
1
0.006
1
1
6.83
3
1
0.09
1
0.008
1
1
6.92
3
1
0.05
1
0.01
2
1
6.83
3
1
0.07
1
0.011
2
1
6.85
3
1
0.06
8
4
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
4
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
6.95
3
1
0.23
9
5
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometric 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
5
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
1
Molality, mol/kg
6
Liquid
1
0.002
1
1
-6.58
3
1
0.06
1
0.004
1
1
-6.52
3
1
0.06
1
0.005
1
1
-6.45
3
1
0.06
1
0.007
1
1
-6.58
3
1
0.06
1
0.009
1
1
-6.58
3
1
0.06
1
0.01
2
1
-6.46
3
1
0.06
1
0.011
2
1
-6.5
3
1
0.07
10
5
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
5
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-6.52
3
1
0.13
11
7
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
7
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
23.03
4
1
0.45
12
8
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
8
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
16.54
4
1
0.34
13
9
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
9
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
26.96
4
1
0.24
14
10
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
10
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-4.18
3
1
0.07
15
11
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
11
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-2.29
3
1
0.06
16
12
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
12
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-3.74
3
1
0.22
17
13
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
13
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-9.95
3
1
0.09
18
14
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
14
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-13.31
4
1
0.19
19
15
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
15
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-13.49
4
1
0.11
20
16
1
6
1
Principal objective of the work
PW
TRC
3/5/2010
1
Molar enthalpy of solution, kJ/mol
Thermometriic 2225 precision solution calorimeter
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Liquid
16
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
6
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
-15.87
4
1
0.2