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Mixture of cefuroxime acid + Acetone + Water

cefuroxime acid

Name
cefuroxime acid
InChI
InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
InChI Key
JFPVXVDWJQMJEE-IZRZKJBUSA-N
Formula
C16H16N4O8S
SMILES
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1
Mol. Weight (g/mol)
424.39

Acetone

Name
Acetone
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key
CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CC(C)=O
Mol. Weight (g/mol)
58.08
CAS
67-64-1

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
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Datasets

  1. Mole fraction

Mole fraction of cefuroxime acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Acetone (2) - Liquid Mole fraction of cefuroxime acid (1) - Liquid
278.50 0.0000 0.0000
278.50 0.2770 0.0031
278.50 0.4740 0.0109
278.50 0.5960 0.0147
278.50 0.6930 0.0186
278.50 0.7680 0.0177
278.50 1.0000 0.0036
283.40 0.0000 0.0000
283.40 0.2670 0.0036
283.40 0.4640 0.0116
283.40 0.5970 0.0154
283.40 0.7100 0.0190
283.40 0.7920 0.0174
283.40 1.0000 0.0036
288.30 0.0000 0.0000
288.30 0.2740 0.0047
288.30 0.4770 0.0149
288.30 0.5950 0.0193
288.30 0.7090 0.0191
288.30 0.7910 0.0162
288.30 1.0000 0.0035
293.30 0.0000 0.0001
293.30 0.2780 0.0058
293.30 0.4700 0.0163
293.30 0.6010 0.0200
293.30 0.6990 0.0192
293.30 0.7830 0.0158
293.30 1.0000 0.0034
298.30 0.0000 0.0001
298.30 0.2740 0.0065
298.30 0.4710 0.0174
298.30 0.6010 0.0206
298.30 0.7050 0.0194
298.30 0.7720 0.0159
298.30 1.0000 0.0034
303.50 0.0000 0.0001
303.50 0.2770 0.0069
303.50 0.4700 0.0175
303.50 0.5940 0.0202
303.50 0.7040 0.0196
303.50 0.7830 0.0158
303.50 1.0000 0.0033
308.30 0.0000 0.0002
308.30 0.2720 0.0077
308.30 0.4640 0.0186
308.30 0.5860 0.0221
308.30 0.6990 0.0200
308.30 0.7860 0.0158
308.30 1.0000 0.0033
313.40 0.0000 0.0003
313.40 0.2790 0.0098
313.40 0.4750 0.0199
313.40 0.5920 0.0217
313.40 0.6980 0.0203
313.40 0.7770 0.0152
313.40 1.0000 0.0032

Sources