Mixture of Propanoic acid, 2-hydroxy-, ethyl ester + Vanillic acid + Water

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Propanoic acid, 2-hydroxy-, ethyl ester

Name
Propanoic acid, 2-hydroxy-, ethyl ester
InChI
InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
InChI Key
LZCLXQDLBQLTDK-UHFFFAOYSA-N
Formula
C5H10O3
SMILES
CCOC(=O)C(C)O
Mol. Weight (g/mol)
118.13
CAS
97-64-3

Vanillic acid

Name
Vanillic acid
InChI
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key
WKOLLVMJNQIZCI-UHFFFAOYSA-N
Formula
C8H8O4
SMILES
COc1cc(C(=O)O)ccc1O
Mol. Weight (g/mol)
168.15
CAS
121-34-6

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
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Datasets

  1. Mole fraction (2)

Mole fraction of Vanillic acid (2) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Solvent: Mass fraction of Water (3) - Liquid Temperature, K - Liquid Mole fraction of Vanillic acid (2) - Liquid
0.0003 296.20 0.0279
0.0003 303.10 0.0321
0.0003 312.70 0.0379
0.0003 323.00 0.0444
0.0003 333.30 0.0545
0.0140 298.20 0.0270
0.0140 313.20 0.0355
0.0140 328.20 0.0482
0.0140 343.20 0.0584

Mole fraction of Vanillic acid (2) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Solvent: Mass fraction of Water (3) - Liquid Temperature, K - Liquid Mole fraction of Vanillic acid (2) - Liquid
0.0003 296.20 0.0279
0.0003 303.10 0.0321
0.0003 312.70 0.0379
0.0003 323.00 0.0444
0.0003 333.30 0.0545
0.0140 298.20 0.0270
0.0140 313.20 0.0355
0.0140 328.20 0.0482
0.0140 343.20 0.0584

Sources