Mixture of Urea + Water + Rofecoxib

Excel

Urea

Name
Urea
InChI
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChI Key
XSQUKJJJFZCRTK-UHFFFAOYSA-N
Formula
CH4N2O
SMILES
NC(N)=O
Mol. Weight (g/mol)
60.06
CAS
57-13-6

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
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Datasets

  1. 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 Urea (1) - Liquid Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15 0.0000 0.0082
298.15 0.0100 0.0192
298.15 0.0200 0.0387
298.15 0.0500 0.0615
298.15 0.1000 0.0956
303.15 0.0000 0.0095
303.15 0.0100 0.0234
303.15 0.0200 0.0456
303.15 0.0500 0.0806
303.15 0.1000 0.1202
308.15 0.0000 0.0113
308.15 0.0100 0.0286
308.15 0.0200 0.0586
308.15 0.0500 0.1157
308.15 0.1000 0.1558

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

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Urea (1) - Liquid Mass concentration, kg/m3 of Rofecoxib (3) - Liquid
298.15 0.0000 0.0082
298.15 0.0100 0.0192
298.15 0.0200 0.0387
298.15 0.0500 0.0615
298.15 0.1000 0.0956
303.15 0.0000 0.0095
303.15 0.0100 0.0234
303.15 0.0200 0.0456
303.15 0.0500 0.0806
303.15 0.1000 0.1202
308.15 0.0000 0.0113
308.15 0.0100 0.0286
308.15 0.0200 0.0586
308.15 0.0500 0.1157
308.15 0.1000 0.1558

Sources