Mixture of cefuroxime acid + Acetonitrile + 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

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

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 = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Acetonitrile (2) - Liquid Mole fraction of cefuroxime acid (1) - Liquid
278.15 1.0000 0.0002
283.15 1.0000 0.0002
288.15 1.0000 0.0002
293.15 1.0000 0.0002
298.15 1.0000 0.0003
303.15 1.0000 0.0003
308.15 1.0000 0.0003
313.15 1.0000 0.0003
278.15 0.8930 0.0010
283.15 0.8930 0.0012
288.15 0.8930 0.0016
293.15 0.8930 0.0019
298.15 0.8930 0.0022
303.15 0.8930 0.0024
308.15 0.8930 0.0026
313.15 0.8930 0.0029
278.15 0.7130 0.0016
283.15 0.7130 0.0023
288.15 0.7130 0.0030
293.15 0.7130 0.0036
298.15 0.7130 0.0046
303.15 0.7130 0.0066
308.15 0.7130 0.0081
313.15 0.7130 0.0097
278.15 0.6370 0.0013
283.15 0.6370 0.0016
288.15 0.6370 0.0018
293.15 0.6370 0.0026
298.15 0.6370 0.0038
303.15 0.6370 0.0060
308.15 0.6370 0.0074
313.15 0.6370 0.0093
278.15 0.3970 0.0008
283.15 0.3970 0.0010
288.15 0.3970 0.0013
293.15 0.3970 0.0017
298.15 0.3970 0.0024
303.15 0.3970 0.0035
308.15 0.3970 0.0045
313.15 0.3970 0.0063
278.15 0.2260 0.0003
283.15 0.2260 0.0004
288.15 0.2260 0.0007
293.15 0.2260 0.0008
298.15 0.2260 0.0012
303.15 0.2260 0.0017
308.15 0.2260 0.0022
313.15 0.2260 0.0028
278.15 0.0990 0.0000
283.15 0.0990 0.0000
288.15 0.0990 0.0000
293.15 0.0990 0.0001
298.15 0.0990 0.0001
303.15 0.0990 0.0001
308.15 0.0990 0.0001
313.15 0.0990 0.0001
278.15 0.0000 0.0000
283.15 0.0000 0.0000
288.15 0.0000 0.0000
293.15 0.0000 0.0001
298.15 0.0000 0.0001
303.15 0.0000 0.0001
308.15 0.0000 0.0002
313.15 0.0000 0.0002

Sources