Mixture of Acetic acid, methyl ester + Vanillic acid

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Acetic acid, methyl ester

Name
Acetic acid, methyl ester
InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChI Key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
Formula
C3H6O2
SMILES
COC(C)=O
Mol. Weight (g/mol)
74.08
CAS
79-20-9

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
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Datasets

  1. Mole fraction (2)

Mole fraction of Vanillic acid (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Vanillic acid (2) - Liquid
293.15 0.0207
298.15 0.0257
303.15 0.0316
308.15 0.0379
313.15 0.0462
318.15 0.0552
323.15 0.0663

Mole fraction of Vanillic acid (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Vanillic acid (2) - Liquid
293.15 0.0207
298.15 0.0257
303.15 0.0316
308.15 0.0379
313.15 0.0462
318.15 0.0552
323.15 0.0663

Sources