2
0
2011
smi
bad
0
journal
Original
Smirnov, V. I.[Valeriy I.]
Badelin, V. G.[Valentin G.]
Thermochim. Acta
2011
2020-09-29
Enthalpies of DL-a-alanyl-DL-a-asparagine solution in aqueous alcohols at 298.15 K
The enthalpies of DL-a-alanyl-DL-a-asparagine (AlaAsn) solution have been measured in aqueous solutions of methanol, ethanol, 1-propanol and 2-propanol with a mole fraction from x2 = (0 to 0.4) at T = 298.15 K. The experimental results have been used to calculate the enthalpies of transfer of AlaAsn from water to these solutions and the enthalpy coefficients of pair-wise interactions (hxy) between AlaAsn and alcohol molecules in water, basing on the McMillan-Mayer's model. The coefficients have been found to be positive and increasing in the methanol less than ethanol less than 1-propanol less than 2- propanol series.
Peptides
Solutions in aqueous alcohols
Enthalpies of solution and transfer
10.1016/j.tca.2010.08.022
1-2
512
55-8
1
InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
CCUAQNUWXLYFRA-UHFFFAOYSA-N
alanylasparagine
DL-.alpha.-alanyl-DL-.alpha.-asparagine
C7H13N3O4
1
Commercial source
1
98
2
Gas chromatography
2
Dried with chemical reagent
Dried in a desiccator
Dried by vacuum heating
Fractional crystallization
Dried with chemical reagent
Dried in a desiccator
Dried by vacuum heating
Fractional crystallization
Dried with chemical reagent
Dried in a desiccator
Dried by vacuum heating
Fractional crystallization
Dried with chemical reagent
Dried in a desiccator
Dried by vacuum heating
Fractional crystallization
2
InChI=1S/CH4O/c1-2/h2H,1H3
OKKJLVBELUTLKV-UHFFFAOYSA-N
methanol
methyl alcohol
CH4O
1
Commercial source
1
0.04
1
Karl Fischer titration
2
99.8
3
Estimated by the compiler
3
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
0.05
1
Karl Fischer titration
2
99.8
3
Estimated by the compiler
4
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
BDERNNFJNOPAEC-UHFFFAOYSA-N
propan-1-ol
1-propanol
n-propanol
n-propyl alcohol
C3H8O
1
Commercial source
1
0.03
1
Karl Fischer titration
2
99.8
3
Estimated by the compiler
5
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
KFZMGEQAYNKOFK-UHFFFAOYSA-N
propan-2-ol
2-propanol
isopropanol
isopropyl alcohol
sec-propyl alcohol
C3H8O
1
Commercial source
1
0.04
1
Karl Fischer titration
2
99.8
3
Estimated by the compiler
6
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
Fractional distillation
2
99.5
3
Estimated by the compiler
1
1
1
6
1
Principal objective of the work
KNA
TRC
12/30/2010
1
Molar enthalpy of solution, kJ/mol
ISOPERIBOL
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Crystal
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
1
Liquid
2
Pressure, kPa
Liquid
3
Temperature, K
Liquid
1
0
2
2
101
3
3
298.15
5
1
16.55
4
1
0.13
2
2
1
1
1
6
1
Principal objective of the work
KNA
TRC
12/30/2010
1
Molar enthalpy of solution, kJ/mol
ISOPERIBOL
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Crystal
2
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
3
Mole fraction
1
Liquid
0
1
1
Solvent: Molality, mol/kg
2
Liquid
1
0.712
3
1
16.84
4
1
0.13
1
1.357
4
1
17.92
4
1
0.14
1
2.034
4
1
19.19
4
1
0.15
1
2.837
4
1
20.65
4
1
0.16
1
4.117
4
1
21.91
4
1
0.17
1
5.529
4
1
22.96
4
1
0.18
1
7.371
4
1
23.68
4
1
0.18
1
10.302
5
1
24.59
4
1
0.19
1
10.882
5
1
24.96
4
1
0.19
1
16.067
5
1
25.17
4
1
0.2
1
24.303
5
1
25.57
4
1
0.2
1
35.716
5
1
25.95
4
1
0.2
3
3
1
1
1
6
1
Principal objective of the work
KNA
TRC
12/30/2010
1
Molar enthalpy of solution, kJ/mol
ISOPERIBOL
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Crystal
3
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
3
Mole fraction
1
Liquid
0
1
1
Solvent: Molality, mol/kg
3
Liquid
1
0.721
3
1
17.17
4
1
0.13
1
1.452
4
1
18.58
4
1
0.14
1
2.368
4
1
20.06
4
1
0.16
1
3.437
4
1
20.89
4
1
0.16
1
4.512
4
1
22.13
4
1
0.17
1
5.435
4
1
23.12
4
1
0.18
1
7.616
4
1
24.37
4
1
0.19
1
9.011
4
1
25.46
4
1
0.2
1
12.268
5
1
26.84
4
1
0.21
1
17.247
5
1
27.63
4
1
0.21
1
24.089
5
1
28.27
4
1
0.22
1
34.344
5
1
28.45
4
1
0.22
4
4
1
1
1
6
1
Principal objective of the work
KNA
TRC
12/30/2010
1
Molar enthalpy of solution, kJ/mol
ISOPERIBOL
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Crystal
4
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
3
Mole fraction
1
Liquid
0
1
1
Solvent: Molality, mol/kg
4
Liquid
1
0.733
3
1
17.08
4
1
0.13
1
1.215
4
1
18.67
4
1
0.14
1
1.982
4
1
20.25
4
1
0.16
1
2.726
4
1
21.42
4
1
0.17
1
3.375
4
1
22.11
4
1
0.17
1
4.028
4
1
22.69
4
1
0.18
1
4.815
4
1
23.14
4
1
0.18
1
6.021
4
1
23.76
4
1
0.18
1
8.878
4
1
24.39
4
1
0.19
1
13.417
5
1
23.82
4
1
0.18
1
18.749
5
1
22.77
4
1
0.18
1
26.796
5
1
21.64
4
1
0.17
5
5
1
1
1
6
1
Principal objective of the work
KNA
TRC
12/30/2010
1
Molar enthalpy of solution, kJ/mol
ISOPERIBOL
Liquid
Difference with the reference state, X-X(REF)
Pure solute at the same temperature and pressure
Crystal
5
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
2
Temperature, K
Liquid
298.15
5
3
Mole fraction
1
Liquid
0
1
1
Solvent: Molality, mol/kg
5
Liquid
1
0.715
3
1
17.17
4
1
0.13
1
1.181
4
1
18.92
4
1
0.15
1
1.742
4
1
20.45
4
1
0.16
1
2.581
4
1
21.49
4
1
0.17
1
3.356
4
1
22.65
4
1
0.18
1
4.285
4
1
23.43
4
1
0.18
1
5.387
4
1
24.21
4
1
0.19
1
6.417
4
1
25.16
4
1
0.19
1
9.149
4
1
26.51
4
1
0.21
1
12.838
5
1
26.24
4
1
0.2
1
17.966
5
1
24.24
4
1
0.19
1
25.659
5
1
18.29
4
1
0.14