Mixture of Vanillin + Ethanol + Water

Excel

Vanillin

Name
Vanillin
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChI Key
MWOOGOJBHIARFG-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
COc1cc(C=O)ccc1O
Mol. Weight (g/mol)
152.15
CAS
121-33-5

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
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Datasets

  1. Mole fraction (2)

Mole fraction of Vanillin (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Ethanol (2) - Liquid Mole fraction of Vanillin (1) - Liquid
303.15 0.0000 0.0396
303.15 0.0575 0.0405
303.15 0.0670 0.0080
303.15 0.1083 0.0361
303.15 0.1370 0.0660
303.15 0.1429 0.0711
303.15 0.1488 0.0799
303.15 0.2030 0.1500
303.15 0.2039 0.1641
303.15 0.2150 0.1400
303.15 0.2349 0.1664
303.15 0.2556 0.1684
303.15 0.2777 0.1968
303.15 0.2780 0.1960
303.15 0.2798 0.1906
303.15 0.3159 0.2240
303.15 0.3586 0.2228
303.15 0.3590 0.2220
303.15 0.3847 0.2397
303.15 0.4270 0.2310
303.15 0.4650 0.2360
303.15 0.4692 0.2432
303.15 0.5180 0.2380
303.15 0.5561 0.2382
303.15 0.6015 0.2297
303.15 0.6200 0.2310
303.15 0.6749 0.2277
303.15 0.7680 0.2320
303.15 0.7790 0.2210
303.15 0.0000 0.0020
303.15 0.1370 0.0660
303.15 0.4650 0.2370
313.15 0.0000 0.0080
313.15 0.0267 0.0104
313.15 0.0458 0.0144
313.15 0.0564 0.0361
313.15 0.0675 0.0728
313.15 0.0828 0.1508
313.15 0.1141 0.2210
313.15 0.1440 0.2568
313.15 0.1647 0.2847
313.15 0.1843 0.3302
313.15 0.2404 0.3226
313.15 0.2771 0.3190
313.15 0.2859 0.3343
313.15 0.3300 0.3351
313.15 0.4173 0.3391
313.15 0.4902 0.3566
313.15 0.6630 0.3370

Mole fraction of Vanillin (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Ethanol (2) - Liquid Mole fraction of Vanillin (1) - Liquid
303.15 0.0000 0.0396
303.15 0.0575 0.0405
303.15 0.0670 0.0080
303.15 0.1083 0.0361
303.15 0.1370 0.0660
303.15 0.1429 0.0711
303.15 0.1488 0.0799
303.15 0.2030 0.1500
303.15 0.2039 0.1641
303.15 0.2150 0.1400
303.15 0.2349 0.1664
303.15 0.2556 0.1684
303.15 0.2777 0.1968
303.15 0.2780 0.1960
303.15 0.2798 0.1906
303.15 0.3159 0.2240
303.15 0.3586 0.2228
303.15 0.3590 0.2220
303.15 0.3847 0.2397
303.15 0.4270 0.2310
303.15 0.4650 0.2360
303.15 0.4692 0.2432
303.15 0.5180 0.2380
303.15 0.5561 0.2382
303.15 0.6015 0.2297
303.15 0.6200 0.2310
303.15 0.6749 0.2277
303.15 0.7680 0.2320
303.15 0.7790 0.2210
303.15 0.0000 0.0020
303.15 0.1370 0.0660
303.15 0.4650 0.2370
313.15 0.0000 0.0080
313.15 0.0267 0.0104
313.15 0.0458 0.0144
313.15 0.0564 0.0361
313.15 0.0675 0.0728
313.15 0.0828 0.1508
313.15 0.1141 0.2210
313.15 0.1440 0.2568
313.15 0.1647 0.2847
313.15 0.1843 0.3302
313.15 0.2404 0.3226
313.15 0.2771 0.3190
313.15 0.2859 0.3343
313.15 0.3300 0.3351
313.15 0.4173 0.3391
313.15 0.4902 0.3566
313.15 0.6630 0.3370

Sources