Mixture of Cefmetazole + 2-Propanol + Water

Cefmetazole

Name
Cefmetazole
InChI
InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
InChI Key
SNBUBQHDYVFSQF-HIFRSBDPSA-N
Formula
C15H17N7O5S3
SMILES
COC1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21
Mol. Weight (g/mol)
471.55

2-Propanol

Name
2-Propanol
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CC(C)O
Mol. Weight (g/mol)
60.10
CAS
67-63-0

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 Cefmetazole (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of 2-Propanol (2) - Liquid Mole fraction of Cefmetazole (1) - Liquid
278.15 0.1000 0.0001
278.15 0.2000 0.0002
278.15 0.3000 0.0004
278.15 0.4000 0.0004
278.15 0.5000 0.0004
278.15 0.6000 0.0003
278.15 0.7000 0.0003
278.15 0.8000 0.0002
278.15 0.9000 0.0001
283.15 0.1000 0.0001
283.15 0.2000 0.0003
283.15 0.3000 0.0004
283.15 0.4000 0.0005
283.15 0.5000 0.0005
283.15 0.6000 0.0004
283.15 0.7000 0.0003
283.15 0.8000 0.0002
283.15 0.9000 0.0001
288.15 0.1000 0.0002
288.15 0.2000 0.0004
288.15 0.3000 0.0006
288.15 0.4000 0.0007
288.15 0.5000 0.0007
288.15 0.6000 0.0006
288.15 0.7000 0.0004
288.15 0.8000 0.0003
288.15 0.9000 0.0002
293.15 0.1000 0.0002
293.15 0.2000 0.0006
293.15 0.3000 0.0008
293.15 0.4000 0.0009
293.15 0.5000 0.0009
293.15 0.6000 0.0008
293.15 0.7000 0.0006
293.15 0.8000 0.0004
293.15 0.9000 0.0002
298.15 0.1000 0.0003
298.15 0.2000 0.0008
298.15 0.3000 0.0011
298.15 0.4000 0.0012
298.15 0.5000 0.0012
298.15 0.6000 0.0010
298.15 0.7000 0.0008
298.15 0.8000 0.0005
298.15 0.9000 0.0003
303.15 0.1000 0.0005
303.15 0.2000 0.0012
303.15 0.3000 0.0016
303.15 0.4000 0.0017
303.15 0.5000 0.0016
303.15 0.6000 0.0013
303.15 0.7000 0.0010
303.15 0.8000 0.0006
303.15 0.9000 0.0004

Sources