2
0
2010
liu
zho
0
journal
Original
Liu, C.[Chunli]
Zhou, L.[Li]
Ma, L.[Lin]
J. Chem. Eng. Data
2010
2020-09-29
Volumetric Properties of Amino Acids in Aqueous N-Methylformamide Solutions at T = 298.15 K
Densities of glycine, l-alanine, and l-serine in aqueous solutions of N-methylformamide (NMF) were measured at 298.15 K. The standard partial molar volumes (Vdeg ), standard partial molar volumes of transfer (?trVdeg ) and hydration numbers for the amino acids were also determined. It is shown that hydrophilic-hydrophilic interactions between charged groups of amino acids and the -CONH- group of NMF are predominant in the case of glycine and l-serine. For l-alanine, however, in NMF solutions with m less than 1.5 mol*kg-1, the interaction between the alanine -CH3 group and NMF weakens the interaction between its charged group and the hydrophilic group of NMF, while for NMF solutions with m greater than 1.5 mol*kg-1, the hydrophilic-hydrophilic interactions increase with the increasing concentration of NMF. The results are interpreted in terms of a cosphere overlap model.
10.1021/je1003466
10
55
4509-4513
1
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
DHMQDGOQFOQNFH-UHFFFAOYSA-N
2-aminoacetic acid
aminoacetic acid
aminoethanoic acid
glycine
C2H5NO2
1
Commercial source
1
99
2
Stated by supplier
2
Dried by vacuum heating
Fractional crystallization
Dried by vacuum heating
Fractional crystallization
2
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
QNAYBMKLOCPYGJ-REOHCLBHSA-N
(S)-2-aminopropanoic acid
(S)-(+)-alanine
.alpha.-alanine
L-.alpha.-aminopropionic acid
L-2-aminopropanoic acid
L-alanine
C3H7NO2
1
Commercial source
1
99
2
Stated by supplier
2
Dried by vacuum heating
Fractional crystallization
Dried by vacuum heating
Fractional crystallization
3
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
MTCFGRXMJLQNBG-REOHCLBHSA-N
L-serine
(S)-(+)-serine
(S)-2-amino-3-hydroxypropanoic acid
(S)-serine
.alpha.-amino-.beta.-hydroxypropionic acid
.beta.-hydroxyalanine
C3H7NO3
1
Commercial source
1
99
2
Stated by supplier
2
Dried by vacuum heating
Fractional crystallization
Dried by vacuum heating
Fractional crystallization
4
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
ATHHXGZTWNVVOU-UHFFFAOYSA-N
N-methylformamide
N-methylformamide [NMF]
N-methylmethanamide
methylformamide
C2H5NO
1
Commercial source
1
Molecular sieve treatment
5
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.5
3
Estimated by the compiler
1
4
1
5
1
Principal objective of the work
RDC
XXX
11/4/2010
1
Mass density, kg/m3
VIBTUB:UFactor:6
Liquid
Direct value, X
5
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
101
3
1
Molality, mol/kg
4
Liquid
1
0.1996
4
1
997.54
5
1
0.31
1
0.2
4
1
997.53
5
1
0.31
1
0.2
4
1
997.55
5
1
0.31
1
0.3493
4
1
997.91
5
1
0.31
1
0.5018
4
1
998.28
5
1
0.32
1
0.5044
4
1
998.28
5
1
0.32
1
0.5343
4
1
998.34
5
1
0.32
1
0.9779
4
1
999.42
5
1
0.34
1
0.9919
4
1
999.46
5
1
0.34
1
1.0109
5
1
999.49
5
1
0.34
1
1.4994
5
1
1000.63
6
1
0.37
1
1.4995
5
1
1000.62
6
1
0.37
1
1.5053
5
1
1000.65
6
1
0.37
1
2.0063
5
1
1001.79
6
1
0.4
1
2.0112
5
1
1001.79
6
1
0.4
1
2.0118
5
1
1001.79
6
1
0.4
1
2.4699
5
1
1002.77
6
1
0.44
1
2.4969
5
1
1002.77
6
1
0.44
1
2.5131
5
1
1002.86
6
1
0.44
1
3.0225
5
1
1003.9
6
1
0.48
1
3.0496
5
1
1003.95
6
1
0.48
1
3.0684
5
1
1004
6
1
0.48
1
3.496
5
1
1004.81
6
1
0.52
1
3.4987
5
1
1004.81
6
1
0.52
1
3.4995
5
1
1004.82
6
1
0.52
1
3.9886
5
1
1005.73
6
1
0.57
1
3.9924
5
1
1005.74
6
1
0.57
1
3.9967
5
1
1005.73
6
1
0.57
2
1
1
4
1
5
1
Principal objective of the work
KNA
TRC
11/4/2010
1
Mass density, kg/m3
VIBTUB:UFactor:6
Liquid
Direct value, X
5
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
101
3
1
Molality, mol/kg
4
Liquid
2
Molality, mol/kg
1
Liquid
1
0.1996
4
2
0
2
1
997.54
5
1
0.31
1
0.1996
4
2
0.1243
4
1
1001.48
6
1
0.31
1
0.1996
4
2
0.217
4
1
1004.37
6
1
0.31
1
0.1996
4
2
0.2795
4
1
1006.29
6
1
0.32
1
0.1996
4
2
0.3804
4
1
1009.36
6
1
0.32
1
0.1996
4
2
0.4827
4
1
1012.41
6
1
0.33
1
0.1996
4
2
0.5621
4
1
1014.76
6
1
0.33
1
0.5044
4
2
0
2
1
998.28
5
1
0.32
1
0.5044
4
2
0.1088
4
1
1001.72
6
1
0.32
1
0.5044
4
2
0.1637
4
1
1003.44
6
1
0.32
1
0.5044
4
2
0.2003
4
1
1004.58
6
1
0.33
1
0.5044
4
2
0.3138
4
1
1008.06
6
1
0.33
1
0.5044
4
2
0.4214
4
1
1011.29
6
1
0.34
1
0.5044
4
2
0.5115
4
1
1013.97
6
1
0.34
1
0.9919
4
2
0
2
1
999.46
5
1
0.34
1
0.9919
4
2
0.1081
4
1
1002.86
6
1
0.35
1
0.9919
4
2
0.153
4
1
1004.26
6
1
0.35
1
0.9919
4
2
0.2465
4
1
1007.13
6
1
0.35
1
0.9919
4
2
0.3069
4
1
1008.98
6
1
0.36
1
0.9919
4
2
0.4053
4
1
1011.92
6
1
0.36
1
0.9919
4
2
0.5127
4
1
1015.12
6
1
0.37
1
1.5053
5
2
0
2
1
1000.65
6
1
0.37
1
1.5053
5
2
0.1136
4
1
1004.21
6
1
0.38
1
1.5053
5
2
0.1571
4
1
1005.56
6
1
0.38
1
1.5053
5
2
0.2197
4
1
1007.48
6
1
0.38
1
1.5053
5
2
0.327
4
1
1010.74
6
1
0.39
1
1.5053
5
2
0.3963
4
1
1012.81
6
1
0.4
1
1.5053
5
2
0.5016
4
1
1015.93
6
1
0.4
1
2.0112
5
2
0
2
1
1001.79
6
1
0.4
1
2.0112
5
2
0.1036
4
1
1005.03
6
1
0.41
1
2.0112
5
2
0.1611
4
1
1006.8
6
1
0.41
1
2.0112
5
2
0.2282
4
1
1008.85
6
1
0.42
1
2.0112
5
2
0.3082
4
1
1011.28
6
1
0.42
1
2.0112
5
2
0.4082
4
1
1014.25
6
1
0.43
1
2.0112
5
2
0.5038
4
1
1017.06
6
1
0.44
1
2.5131
5
2
0
2
1
1002.86
6
1
0.44
1
2.5131
5
2
0.1127
4
1
1006.36
6
1
0.45
1
2.5131
5
2
0.1625
4
1
1007.89
6
1
0.45
1
2.5131
5
2
0.2094
4
1
1009.32
6
1
0.45
1
2.5131
5
2
0.3184
4
1
1012.62
6
1
0.46
1
2.5131
5
2
0.3998
4
1
1015.04
6
1
0.47
1
2.5131
5
2
0.5017
4
1
1018.01
6
1
0.47
1
3.0496
5
2
0
2
1
1003.95
6
1
0.48
1
3.0496
5
2
0.1023
4
1
1007.12
6
1
0.49
1
3.0496
5
2
0.1516
4
1
1008.63
6
1
0.49
1
3.0496
5
2
0.2278
4
1
1010.95
6
1
0.5
1
3.0496
5
2
0.3112
4
1
1013.45
6
1
0.51
1
3.0496
5
2
0.4034
4
1
1016.18
6
1
0.51
1
3.0496
5
2
0.5285
4
1
1019.83
6
1
0.52
1
3.4987
5
2
0
2
1
1004.81
6
1
0.52
1
3.4987
5
2
0.1057
4
1
1008.07
6
1
0.53
1
3.4987
5
2
0.1695
4
1
1010.02
6
1
0.54
1
3.4987
5
2
0.2226
4
1
1011.63
6
1
0.54
1
3.4987
5
2
0.309
4
1
1014.22
6
1
0.55
1
3.4987
5
2
0.4049
4
1
1017.06
6
1
0.56
1
3.4987
5
2
0.5008
4
1
1019.87
6
1
0.56
1
3.9924
5
2
0
2
1
1005.74
6
1
0.57
1
3.9924
5
2
0.1125
4
1
1009.18
6
1
0.58
1
3.9924
5
2
0.1485
4
1
1010.27
6
1
0.59
1
3.9924
5
2
0.2126
4
1
1012.2
6
1
0.59
1
3.9924
5
2
0.303
4
1
1014.9
6
1
0.6
1
3.9924
5
2
0.4052
4
1
1017.91
6
1
0.61
1
3.9924
5
2
0.5064
4
1
1020.84
6
1
0.61
3
2
1
4
1
5
1
Principal objective of the work
KNA
TRC
11/4/2010
1
Mass density, kg/m3
VIBTUB:UFactor:6
Liquid
Direct value, X
5
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
101
3
1
Molality, mol/kg
4
Liquid
2
Molality, mol/kg
2
Liquid
1
0.2
4
2
0
2
1
997.53
5
1
0.31
1
0.2
4
2
0.1074
4
1
1000.6
6
1
0.31
1
0.2
4
2
0.1651
4
1
1002.22
6
1
0.31
1
0.2
4
2
0.2866
4
1
1005.58
6
1
0.32
1
0.2
4
2
0.354
3
1
1007.42
6
1
0.32
1
0.2
4
2
0.4001
4
1
1008.65
6
1
0.32
1
0.2
4
2
0.4833
4
1
1010.87
6
1
0.33
1
0.3493
4
2
0
2
1
997.91
5
1
0.31
1
0.3493
4
2
0.1143
4
1
1001.17
6
1
0.31
1
0.3493
4
2
0.1742
4
1
1002.85
6
1
0.32
1
0.3493
4
2
0.231
4
1
1004.43
6
1
0.32
1
0.3493
4
2
0.3126
4
1
1006.67
6
1
0.32
1
0.3493
4
2
0.3884
4
1
1008.73
6
1
0.33
1
0.3493
4
2
0.4721
4
1
1010.95
6
1
0.33
1
0.5343
4
2
0
2
1
998.34
5
1
0.32
1
0.5343
4
2
0.1011
4
1
1001.23
6
1
0.32
1
0.5343
4
2
0.1646
4
1
1003.02
6
1
0.32
1
0.5343
4
2
0.218
4
1
1004.51
6
1
0.33
1
0.5343
4
2
0.3123
4
1
1007.09
6
1
0.33
1
0.5343
4
2
0.402
4
1
1009.52
6
1
0.34
1
0.5343
4
2
0.5034
4
1
1012.22
6
1
0.34
1
1.0109
5
2
0
2
1
999.49
5
1
0.34
1
1.0109
5
2
0.1228
4
1
1002.99
6
1
0.35
1
1.0109
5
2
0.1528
4
1
1003.83
6
1
0.35
1
1.0109
5
2
0.2062
4
1
1005.32
6
1
0.35
1
1.0109
5
2
0.3053
4
1
1008.04
6
1
0.36
1
1.0109
5
2
0.4073
4
1
1010.8
6
1
0.36
1
1.0109
5
2
0.5119
4
1
1013.58
6
1
0.37
1
1.4994
5
2
0
2
1
1000.63
6
1
0.37
1
1.4994
5
2
0.1047
4
1
1003.61
6
1
0.38
1
1.4994
5
2
0.1587
4
1
1005.13
6
1
0.38
1
1.4994
5
2
0.2203
4
1
1006.84
6
1
0.38
1
1.4994
5
2
0.3272
4
1
1009.76
6
1
0.39
1
1.4994
5
2
0.4137
4
1
1012.09
6
1
0.39
1
1.4994
5
2
0.5269
4
1
1015.08
6
1
0.4
1
2.0118
5
2
0
2
1
1001.79
6
1
0.4
1
2.0118
5
2
0.1094
4
1
1004.89
6
1
0.41
1
2.0118
5
2
0.1645
4
1
1006.43
6
1
0.41
1
2.0118
5
2
0.2066
4
1
1007.59
6
1
0.42
1
2.0118
5
2
0.3043
4
1
1010.27
6
1
0.42
1
2.0118
5
2
0.4061
4
1
1013.02
6
1
0.43
1
2.0118
5
2
0.5015
4
1
1015.54
6
1
0.43
1
2.4699
5
2
0
2
1
1002.77
6
1
0.44
1
2.4699
5
2
0.1059
4
1
1005.76
6
1
0.44
1
2.4699
5
2
0.1494
4
1
1006.98
6
1
0.45
1
2.4699
5
2
0.2047
4
1
1008.51
6
1
0.45
1
2.4699
5
2
0.3082
4
1
1011.33
6
1
0.46
1
2.4699
5
2
0.4054
4
1
1013.94
6
1
0.46
1
2.4699
5
2
0.4977
4
1
1016.37
6
1
0.47
1
3.0225
5
2
0
2
1
1003.9
6
1
0.48
1
3.0225
5
2
0.1067
4
1
1006.91
6
1
0.49
1
3.0225
5
2
0.1621
4
1
1008.45
6
1
0.49
1
3.0225
5
2
0.2017
4
1
1009.54
6
1
0.49
1
3.0225
5
2
0.2979
4
1
1012.16
6
1
0.5
1
3.0225
5
2
0.4097
4
1
1015.15
6
1
0.51
1
3.0225
5
2
0.5038
4
1
1017.62
6
1
0.51
1
3.496
5
2
0
2
1
1004.81
6
1
0.52
1
3.496
5
2
0.1004
4
1
1007.64
6
1
0.53
1
3.496
5
2
0.154
4
1
1009.13
6
1
0.53
1
3.496
5
2
0.2028
4
1
1010.47
6
1
0.54
1
3.496
5
2
0.3027
4
1
1013.19
6
1
0.55
1
3.496
5
2
0.4137
4
1
1016.15
6
1
0.55
1
3.496
5
2
0.5015
4
1
1018.46
6
1
0.56
1
3.9967
5
2
0
2
1
1005.73
6
1
0.57
1
3.9967
5
2
0.1096
4
1
1008.81
6
1
0.58
1
3.9967
5
2
0.1549
4
1
1010.06
6
1
0.58
1
3.9967
5
2
0.2022
4
1
1011.35
6
1
0.59
1
3.9967
5
2
0.3145
4
1
1014.39
6
1
0.6
1
3.9967
5
2
0.4019
4
1
1016.71
6
1
0.6
1
3.9967
5
2
0.516
4
1
1019.69
6
1
0.61
4
3
1
4
1
5
1
Principal objective of the work
KNA
TRC
11/4/2010
1
Mass density, kg/m3
VIBTUB:UFactor:6
Liquid
Direct value, X
5
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
101
3
1
Molality, mol/kg
4
Liquid
2
Molality, mol/kg
3
Liquid
1
0.2
4
2
0
2
1
997.55
5
1
0.31
1
0.2
4
2
0.102
4
1
1002.05
6
1
0.31
1
0.2
4
2
0.1475
4
1
1004.04
6
1
0.31
1
0.2
4
2
0.207
4
1
1006.61
6
1
0.32
1
0.2
4
2
0.2986
4
1
1010.5
6
1
0.32
1
0.2
4
2
0.417
4
1
1015.46
6
1
0.33
1
0.2
4
2
0.5283
4
1
1020.05
6
1
0.34
1
0.5018
4
2
0
2
1
998.28
5
1
0.32
1
0.5018
4
2
0.1222
4
1
1003.66
6
1
0.32
1
0.5018
4
2
0.159
4
1
1005.25
6
1
0.33
1
0.5018
4
2
0.214
4
1
1007.61
6
1
0.33
1
0.5018
4
2
0.3329
4
1
1012.65
6
1
0.34
1
0.5018
4
2
0.3893
4
1
1014.98
6
1
0.35
1
0.5018
4
2
0.4992
4
1
1019.5
6
1
0.36
1
0.9779
4
2
0
2
1
999.42
5
1
0.34
1
0.9779
4
2
0.1142
4
1
1004.432
7
1
0.348
1
0.9779
4
2
0.1602
4
1
1006.42
6
1
0.35
1
0.9779
4
2
0.2172
4
1
1008.86
6
1
0.36
1
0.9779
4
2
0.3085
4
1
1012.72
6
1
0.37
1
0.9779
4
2
0.4067
4
1
1016.82
6
1
0.37
1
0.9779
4
2
0.5086
4
1
1020.99
6
1
0.38
1
2.0063
5
2
0
2
1
1001.79
6
1
0.4
1
2.0063
5
2
0.1069
4
1
1006.46
6
1
0.41
1
2.0063
5
2
0.159
4
1
1008.7
6
1
0.42
1
2.0063
5
2
0.2024
4
1
1010.55
6
1
0.42
1
2.0063
5
2
0.301
4
1
1014.7
6
1
0.43
1
2.0063
5
2
0.3957
4
1
1018.61
6
1
0.44
1
2.0063
5
2
0.4745
4
1
1021.83
6
1
0.45
1
2.4969
5
2
0
2
1
1002.77
6
1
0.44
1
2.4969
5
2
0.1014
4
1
1007.19
6
1
0.45
1
2.4969
5
2
0.1587
4
1
1009.65
6
1
0.45
1
2.4969
5
2
0.2135
4
1
1011.98
6
1
0.46
1
2.4969
5
2
0.3112
4
1
1016.07
6
1
0.47
1
2.4969
5
2
0.4219
4
1
1020.62
6
1
0.48
1
2.4969
5
2
0.4984
4
1
1023.71
6
1
0.49
1
3.0684
5
2
0
2
1
1004
6
1
0.48
1
3.0684
5
2
0.1014
4
1
1008.4
6
1
0.49
1
3.0684
5
2
0.1556
4
1
1010.72
6
1
0.5
1
3.0684
5
2
0.2046
4
1
1012.8
6
1
0.5
1
3.0684
5
2
0.3091
5
1
1017.16
6
1
0.52
1
3.0684
5
2
0.406
4
1
1021.13
6
1
0.53
1
3.0684
5
2
0.4995
4
1
1024.92
6
1
0.54
1
3.4995
5
2
0
2
1
1004.82
6
1
0.52
1
3.4995
5
2
0.1047
4
1
1009.35
6
1
0.54
1
3.4995
5
2
0.1547
4
1
1011.48
6
1
0.54
1
3.4995
5
2
0.2156
4
1
1014.05
6
1
0.55
1
3.4995
5
2
0.303
4
1
1017.7
6
1
0.56
1
3.4995
5
2
0.4195
4
1
1022.46
6
1
0.57
1
3.4995
5
2
0.4988
4
1
1025.64
6
1
0.58
1
3.9886
5
2
0
2
1
1005.73
6
1
0.57
1
3.9886
5
2
0.1063
4
1
1010.3
6
1
0.58
1
3.9886
5
2
0.1579
4
1
1012.49
6
1
0.59
1
3.9886
5
2
0.204
4
1
1014.43
6
1
0.6
1
3.9886
5
2
0.3119
4
1
1018.91
6
1
0.61
1
3.9886
5
2
0.4208
4
1
1023.36
6
1
0.62
1
3.9886
5
2
0.5005
4
1
1026.54
6
1
0.63