Mixture of Ethanol + Water + 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5

6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Name
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)
InChI Key
AVKUERGKIZMTKX-UHFFFAOYSA-N
Formula
C16H19N3O4S
SMILES
CC1(C)SC2C(NC(=O)C([NH3+])c3ccccc3)C(=O)N2C1C(=O)[O-]
Mol. Weight (g/mol)
349.41
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Datasets

  1. Molality, mol/kg

Molality, mol/kg of 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (3) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Molality, mol/kg of 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (3) - Liquid
298.15 0.0000 0.0342
298.15 0.0000 0.0243
298.15 0.0000 0.0216
298.15 0.0000 0.0193
298.15 0.0000 0.0174
298.15 0.0000 0.0162
298.15 0.0000 0.0168
298.15 0.0000 0.0191
298.15 0.0000 0.0264
298.15 0.0000 0.0395
298.15 0.1000 0.0283
298.15 0.1000 0.0265
298.15 0.1000 0.0253
298.15 0.1000 0.0245
298.15 0.1000 0.0242
298.15 0.1000 0.0239
298.15 0.1000 0.0230
298.15 0.1000 0.0231
298.15 0.1000 0.0228
298.15 0.1000 0.0190
298.15 0.1000 0.0166
298.15 0.1000 0.0151
298.15 0.1000 0.0148
298.15 0.1000 0.0144
298.15 0.1000 0.0147
298.15 0.1000 0.0175
298.15 0.1000 0.0206
298.15 0.1000 0.0259
298.15 0.1000 0.0297
298.15 0.3000 0.0298
298.15 0.3000 0.0255
298.15 0.3000 0.0207
298.15 0.3000 0.0177
298.15 0.3000 0.0170
298.15 0.3000 0.0178
298.15 0.3000 0.0185
298.15 0.3000 0.0209
298.15 0.3000 0.0297
298.15 0.3000 0.0476
298.15 0.5000 0.0497
298.15 0.5000 0.0265
298.15 0.5000 0.0207
298.15 0.5000 0.0204
298.15 0.5000 0.0178
298.15 0.5000 0.0177
298.15 0.5000 0.0180
298.15 0.5000 0.0238
298.15 0.5000 0.0312
298.15 0.5000 0.0764
298.15 0.7000 0.1083
298.15 0.7000 0.0553
298.15 0.7000 0.0234
298.15 0.7000 0.0138
298.15 0.7000 0.0109
298.15 0.7000 0.0114
298.15 0.7000 0.0146
298.15 0.7000 0.0173
298.15 0.7000 0.0205
298.15 0.7000 0.0750
293.15 0.0000 0.0272
293.15 0.0000 0.0226
293.15 0.0000 0.0161
293.15 0.0000 0.0160
293.15 0.0000 0.0167
293.15 0.0000 0.0158
293.15 0.0000 0.0162
293.15 0.0000 0.0144
293.15 0.0000 0.0143
293.15 0.0000 0.0143
293.15 0.0000 0.0141
293.15 0.0000 0.0151
293.15 0.0000 0.0169
293.15 0.0000 0.0193
293.15 0.0000 0.0201
293.15 0.0000 0.0236
293.15 0.0000 0.0260
293.15 0.1000 0.0279
293.15 0.1000 0.0252
293.15 0.1000 0.0181
293.15 0.1000 0.0149
293.15 0.1000 0.0140
293.15 0.1000 0.0139
293.15 0.1000 0.0138
293.15 0.1000 0.0118
293.15 0.1000 0.0115
293.15 0.1000 0.0120
293.15 0.1000 0.0123
293.15 0.1000 0.0123
293.15 0.1000 0.0131
293.15 0.1000 0.0140
293.15 0.1000 0.0156
293.15 0.1000 0.0157
293.15 0.1000 0.0226
293.15 0.3000 0.0244
293.15 0.3000 0.0197
293.15 0.3000 0.0163
293.15 0.3000 0.0158
293.15 0.3000 0.0163
293.15 0.3000 0.0172
293.15 0.3000 0.0215
293.15 0.3000 0.0236
293.15 0.3000 0.0261
293.15 0.5000 0.0369
293.15 0.5000 0.0227
293.15 0.5000 0.0170
293.15 0.5000 0.0157
293.15 0.5000 0.0158
293.15 0.5000 0.0160
293.15 0.5000 0.0176
293.15 0.5000 0.0224
293.15 0.5000 0.0349
293.15 0.7000 0.0584
293.15 0.7000 0.0285
293.15 0.7000 0.0162
293.15 0.7000 0.0132
293.15 0.7000 0.0100
293.15 0.7000 0.0099
293.15 0.7000 0.0104
293.15 0.7000 0.0134
293.15 0.7000 0.0187
288.15 0.0000 0.0152
288.15 0.0000 0.0124
288.15 0.0000 0.0125
288.15 0.0000 0.0121
288.15 0.0000 0.0119
288.15 0.0000 0.0122
288.15 0.0000 0.0124
288.15 0.0000 0.0126
288.15 0.0000 0.0147
288.15 0.0000 0.0287
288.15 0.1000 0.0142
288.15 0.1000 0.0117
288.15 0.1000 0.0111
288.15 0.1000 0.0108
288.15 0.1000 0.0106
288.15 0.1000 0.0100
288.15 0.1000 0.0097
288.15 0.1000 0.0095
288.15 0.1000 0.0097
288.15 0.1000 0.0097
288.15 0.1000 0.0098
288.15 0.1000 0.0100
288.15 0.1000 0.0099
288.15 0.1000 0.0110
288.15 0.1000 0.0112
288.15 0.1000 0.0117
288.15 0.1000 0.0128
288.15 0.1000 0.0141
288.15 0.1000 0.0141
288.15 0.3000 0.0257
288.15 0.3000 0.0183
288.15 0.3000 0.0172
288.15 0.3000 0.0148
288.15 0.3000 0.0140
288.15 0.3000 0.0136
288.15 0.3000 0.0137
288.15 0.3000 0.0135
288.15 0.3000 0.0137
288.15 0.3000 0.0135
288.15 0.3000 0.0112
288.15 0.3000 0.0098
288.15 0.3000 0.0096
288.15 0.3000 0.0109
288.15 0.3000 0.0109
288.15 0.3000 0.0121
288.15 0.3000 0.0121
288.15 0.3000 0.0134
288.15 0.5000 0.0177
288.15 0.5000 0.0303
288.15 0.5000 0.0251
288.15 0.5000 0.0174
288.15 0.5000 0.0153
288.15 0.5000 0.0146
288.15 0.5000 0.0144
288.15 0.5000 0.0145
288.15 0.5000 0.0148
288.15 0.5000 0.0171
288.15 0.7000 0.0248
288.15 0.7000 0.0424
288.15 0.7000 0.0263
288.15 0.7000 0.0156
288.15 0.7000 0.0105
288.15 0.7000 0.0100
288.15 0.7000 0.0105
288.15 0.7000 0.0123
288.15 0.7000 0.0162
283.15 0.0000 0.0169
283.15 0.0000 0.0143
283.15 0.0000 0.0121
283.15 0.0000 0.0119
283.15 0.0000 0.0114
283.15 0.0000 0.0117
283.15 0.0000 0.0117
283.15 0.0000 0.0115
283.15 0.0000 0.0120
283.15 0.0000 0.0121
283.15 0.0000 0.0130
283.15 0.0000 0.0149
283.15 0.0000 0.0171
283.15 0.1000 0.0143
283.15 0.1000 0.0120
283.15 0.1000 0.0118
283.15 0.1000 0.0099
283.15 0.1000 0.0096
283.15 0.1000 0.0094
283.15 0.1000 0.0089
283.15 0.1000 0.0087
283.15 0.1000 0.0087
283.15 0.1000 0.0086
283.15 0.1000 0.0087
283.15 0.1000 0.0094
283.15 0.1000 0.0117
283.15 0.1000 0.0145
283.15 0.3000 0.0163
283.15 0.3000 0.0152
283.15 0.3000 0.0129
283.15 0.3000 0.0128
283.15 0.3000 0.0126
283.15 0.3000 0.0118
283.15 0.3000 0.0117
283.15 0.3000 0.0114
283.15 0.3000 0.0112
283.15 0.3000 0.0109
283.15 0.3000 0.0076
283.15 0.3000 0.0075
283.15 0.3000 0.0076
283.15 0.3000 0.0071
283.15 0.3000 0.0070
283.15 0.3000 0.0086
283.15 0.3000 0.0101
283.15 0.5000 0.0327
283.15 0.5000 0.0203
283.15 0.5000 0.0161
283.15 0.5000 0.0137
283.15 0.5000 0.0135
283.15 0.5000 0.0134
283.15 0.5000 0.0138
283.15 0.5000 0.0164
283.15 0.5000 0.0229
283.15 0.7000 0.0544
283.15 0.7000 0.0257
283.15 0.7000 0.0164
283.15 0.7000 0.0124
283.15 0.7000 0.0107
283.15 0.7000 0.0097
283.15 0.7000 0.0097
283.15 0.7000 0.0111
283.15 0.7000 0.0140

Sources