Mixture of Ibuprofen + Propylene Glycol + Ethanol

Excel

Ibuprofen

Name
Ibuprofen
InChI
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChI Key
HEFNNWSXXWATRW-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CC(C)Cc1ccc(C(C)C(=O)O)cc1
Mol. Weight (g/mol)
206.28
CAS
15687-27-1

Propylene Glycol

Name
Propylene Glycol
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChI Key
DNIAPMSPPWPWGF-UHFFFAOYSA-N
Formula
C3H8O2
SMILES
CC(O)CO
Mol. Weight (g/mol)
76.09
CAS
57-55-6

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
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Datasets

  1. Mole fraction (2)

Mole fraction of Ibuprofen (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (3) - Liquid Mole fraction of Ibuprofen (1) - Liquid
293.15 0.2000 0.1170
293.15 0.4000 0.1600
293.15 0.6000 0.1840
293.15 0.8000 0.2020
298.15 0.2000 0.1470
298.15 0.4000 0.1920
298.15 0.6000 0.2090
298.15 0.8000 0.2330
303.15 0.2000 0.1830
303.15 0.4000 0.2310
303.15 0.6000 0.2500
303.15 0.8000 0.2680
308.15 0.2000 0.2300
308.15 0.4000 0.2760
308.15 0.6000 0.2900
308.15 0.8000 0.3160
313.15 0.2000 0.2600
313.15 0.4000 0.3100
313.15 0.6000 0.3370
313.15 0.8000 0.3630

Mole fraction of Ibuprofen (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (3) - Liquid Mole fraction of Ibuprofen (1) - Liquid
293.15 0.2000 0.1170
293.15 0.4000 0.1600
293.15 0.6000 0.1840
293.15 0.8000 0.2020
298.15 0.2000 0.1470
298.15 0.4000 0.1920
298.15 0.6000 0.2090
298.15 0.8000 0.2330
303.15 0.2000 0.1830
303.15 0.4000 0.2310
303.15 0.6000 0.2500
303.15 0.8000 0.2680
308.15 0.2000 0.2300
308.15 0.4000 0.2760
308.15 0.6000 0.2900
308.15 0.8000 0.3160
313.15 0.2000 0.2600
313.15 0.4000 0.3100
313.15 0.6000 0.3370
313.15 0.8000 0.3630

Sources