Mixture of Naproxen + Tetradecanoic acid, 1-methylethyl ester + Water

Naproxen

Name
Naproxen
InChI
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
InChI Key
CMWTZPSULFXXJA-UHFFFAOYSA-N
Formula
C14H14O3
SMILES
COc1ccc2cc(C(C)C(=O)O)ccc2c1
Mol. Weight (g/mol)
230.26
CAS
22204-53-1

Tetradecanoic acid, 1-methylethyl ester

Name
Tetradecanoic acid, 1-methylethyl ester
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
InChI Key
AXISYYRBXTVTFY-UHFFFAOYSA-N
Formula
C17H34O2
SMILES
CCCCCCCCCCCCCC(=O)OC(C)C
Mol. Weight (g/mol)
270.46
CAS
110-27-0

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
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Datasets

  1. Mole fraction

Mole fraction of Naproxen (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid mixture 1)

Temperature, K - Liquid mixture 1 Mole fraction of Naproxen (1) - Liquid mixture 1
293.15 0.0064
298.15 0.0076
303.15 0.0085
308.15 0.0096
313.15 0.0111

Sources