Mixture of Ethanol + Water + Rofecoxib

Excel

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

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

Rofecoxib

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
CAS
162011-90-7
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

  1. Mass concentration, kg/m3 (4)

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

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15 0.0000 0.0082
298.15 0.2000 0.0253
298.15 0.4000 0.2287
298.15 0.6000 0.6335
298.15 0.8000 0.8792
298.15 1.0000 0.3905
303.15 0.0000 0.0094
303.15 0.2000 0.0424
303.15 0.4000 0.3066
303.15 0.6000 0.8653
303.15 0.8000 1.187
303.15 1.0000 0.5060
308.15 0.0000 0.0112
308.15 0.2000 0.0556
308.15 0.4000 0.4187
308.15 0.6000 1.183
308.15 0.8000 1.381
308.15 1.0000 0.6144

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

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15 0.0000 0.0082
298.15 0.1000 0.0234
298.15 0.2000 0.0333
298.15 0.3000 0.0821
298.15 0.4000 0.2287
298.15 1.0000 0.3955
303.15 0.0000 0.0094
303.15 0.1000 0.0353
303.15 0.2000 0.0540
303.15 0.3000 0.1214
303.15 0.4000 0.3066
303.15 1.0000 0.5104
308.15 0.0000 0.0112
308.15 0.1000 0.0442
308.15 0.2000 0.0820
308.15 0.3000 0.1973
308.15 0.4000 0.4187
308.15 1.0000 0.6243

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

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15 0.0000 0.0082
298.15 0.2000 0.0253
298.15 0.4000 0.2287
298.15 0.6000 0.6335
298.15 0.8000 0.8792
298.15 1.0000 0.3905
303.15 0.0000 0.0094
303.15 0.2000 0.0424
303.15 0.4000 0.3066
303.15 0.6000 0.8653
303.15 0.8000 1.187
303.15 1.0000 0.5060
308.15 0.0000 0.0112
308.15 0.2000 0.0556
308.15 0.4000 0.4187
308.15 0.6000 1.183
308.15 0.8000 1.381
308.15 1.0000 0.6144

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

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15 0.0000 0.0082
298.15 0.1000 0.0234
298.15 0.2000 0.0333
298.15 0.3000 0.0821
298.15 0.4000 0.2287
298.15 1.0000 0.3955
303.15 0.0000 0.0094
303.15 0.1000 0.0353
303.15 0.2000 0.0540
303.15 0.3000 0.1214
303.15 0.4000 0.3066
303.15 1.0000 0.5104
308.15 0.0000 0.0112
308.15 0.1000 0.0442
308.15 0.2000 0.0820
308.15 0.3000 0.1973
308.15 0.4000 0.4187
308.15 1.0000 0.6243

Sources