Mixture of Valdecoxib + Propylene Glycol + Water

Name: Valdecoxib
InChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChI Key: LNPDTQAFDNKSHK-UHFFFAOYSA-N
Formula: C16H14N2O3S
SMILES: Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
Mol. Weight (g/mol): 314.37

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: 4254-16-4

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

Mass concentration, kg/m3 (2)

Mass concentration, kg/m3 of Valdecoxib (1) [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed		Measured
Temperature, K - Liquid	Solvent: Mass fraction of Propylene Glycol (2) - Liquid	Mass concentration, kg/m3 of Valdecoxib (1) - Liquid
298.15	0.0000	0.0103
298.15	0.2000	0.0413
298.15	0.4000	0.1876
298.15	0.6000	0.6502
298.15	0.8000	1.0386
298.15	1.0000	1.4344
303.15	0.0000	0.0104
303.15	0.2000	0.0762
303.15	0.4000	0.3912
303.15	0.6000	1.027
303.15	0.8000	1.7656
303.15	1.0000	1.9257
308.15	0.0000	0.0111
308.15	0.2000	0.1183
308.15	0.4000	0.5067
308.15	0.6000	1.2678
308.15	0.8000	2.5245
308.15	1.0000	2.9368

Mass concentration, kg/m3 of Valdecoxib (1) [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed		Measured
Temperature, K - Liquid	Solvent: Mass fraction of Propylene Glycol (2) - Liquid	Mass concentration, kg/m3 of Valdecoxib (1) - Liquid
298.15	0.0000	0.0103
298.15	0.2000	0.0413
298.15	0.4000	0.1876
298.15	0.6000	0.6502
298.15	0.8000	1.0386
298.15	1.0000	1.4344
303.15	0.0000	0.0104
303.15	0.2000	0.0762
303.15	0.4000	0.3912
303.15	0.6000	1.027
303.15	0.8000	1.7656
303.15	1.0000	1.9257
308.15	0.0000	0.0111
308.15	0.2000	0.1183
308.15	0.4000	0.5067
308.15	0.6000	1.2678
308.15	0.8000	2.5245
308.15	1.0000	2.9368

Sources

Solubility of Valdecoxib in the Presence of Glycerol, Propylene Glycol, and Poly(ethylene glycol) 400 at (298.15, 303.15, and 308.15) K

Note: These property values are available through the Cheméo API. A free account gives you an access key.