Mixture of Valdecoxib + Glycerin + 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: Glycerin
InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChI Key: PEDCQBHIVMGVHV-UHFFFAOYSA-N
Formula: C3H8O3
SMILES: OCC(O)CO
Mol. Weight (g/mol): 92.09
CAS: 56-81-5

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

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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 Glycerin (2) - Liquid	Mass concentration, kg/m3 of Valdecoxib (1) - Liquid
298.15	0.0000	0.0103
298.15	0.1000	0.0122
298.15	0.2000	0.0162
298.15	0.3000	0.0218
298.15	1.0000	0.0504
303.15	0.0000	0.0104
303.15	0.1000	0.0133
303.15	0.2000	0.0194
303.15	0.3000	0.0297
303.15	1.0000	0.0567
308.15	0.0000	0.0111
308.15	0.1000	0.0138
308.15	0.2000	0.0237
308.15	0.3000	0.0363
308.15	1.0000	0.0603

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

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed		Measured
Temperature, K - Liquid	Solvent: Mass fraction of Glycerin (2) - Liquid	Mass concentration, kg/m3 of Valdecoxib (1) - Liquid
298.15	0.0000	0.0103
298.15	0.1000	0.0122
298.15	0.2000	0.0162
298.15	0.3000	0.0218
298.15	1.0000	0.0504
303.15	0.0000	0.0104
303.15	0.1000	0.0133
303.15	0.2000	0.0194
303.15	0.3000	0.0297
303.15	1.0000	0.0567
308.15	0.0000	0.0111
308.15	0.1000	0.0138
308.15	0.2000	0.0237
308.15	0.3000	0.0363
308.15	1.0000	0.0603

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.