Mixture of D-Mannitol + Water + Rofecoxib

Name: D-Mannitol
InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChI Key: FBPFZTCFMRRESA-KVTDHHQDSA-N
Formula: C6H14O6
SMILES: OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
Mol. Weight (g/mol): 182.17
CAS: 69-65-8

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

Name: Rofecoxib
InChI: InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key: RZJQGNCSTQAWON-UHFFFAOYSA-N
Formula: C17H14O4S
SMILES: CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
Mol. Weight (g/mol): 314.36

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Datasets

Mass concentration, kg/m3 (2)

Mass concentration, kg/m3 of Rofecoxib (3) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed		Measured
Temperature, K - Liquid	Solvent: Mass fraction of D-Mannitol (1) - Liquid	Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15	0.0000	0.0082
298.15	0.0100	0.0137
298.15	0.0200	0.0140
298.15	0.0500	0.0142
298.15	0.1000	0.0143
303.15	0.0000	0.0095
303.15	0.0100	0.0143
303.15	0.0200	0.0144
303.15	0.0500	0.0145
303.15	0.1000	0.0147
308.15	0.0000	0.0113
308.15	0.0100	0.0145
308.15	0.0200	0.0146
308.15	0.0500	0.0147
308.15	0.1000	0.0148

Mass concentration, kg/m3 of Rofecoxib (3) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed		Measured
Temperature, K - Liquid	Solvent: Mass fraction of D-Mannitol (1) - Liquid	Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15	0.0000	0.0082
298.15	0.0100	0.0137
298.15	0.0200	0.0140
298.15	0.0500	0.0142
298.15	0.1000	0.0143
303.15	0.0000	0.0095
303.15	0.0100	0.0143
303.15	0.0200	0.0144
303.15	0.0500	0.0145
303.15	0.1000	0.0147
308.15	0.0000	0.0113
308.15	0.0100	0.0145
308.15	0.0200	0.0146
308.15	0.0500	0.0147
308.15	0.1000	0.0148

Sources

Solubility of Rofecoxib in the Presence of Mannitol, Poly(vinylpyrrolidone) K30, Urea, Polyethylene Glycol 4000, and Polyethylene Glycol 6000 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.