Mixture of 1-Propanol + Vanillin + Water

Excel

1-Propanol

Name
1-Propanol
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChI Key
BDERNNFJNOPAEC-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CCCO
Mol. Weight (g/mol)
60.09
CAS
71-23-8

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

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 (6)

Mole fraction of Vanillin (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (3) - Liquid Mole fraction of Vanillin (2) - Liquid
288.15 0.0000 0.0893
288.15 0.3000 0.1346
288.15 0.5000 0.0824
288.15 0.6000 0.0458
288.15 0.7000 0.0283
288.15 0.8000 0.0102
288.15 0.9000 0.0023
288.15 1.0000 0.0008
298.15 0.0000 0.1450
298.15 0.1000 0.1929
298.15 0.3000 0.2024
298.15 0.5000 0.1491
298.15 0.6000 0.1143
298.15 0.7000 0.0572
298.15 0.8000 0.0263
298.15 1.0000 0.0012
301.65 0.0000 0.1646
301.65 0.1000 0.2010
301.65 0.2000 0.2188
301.65 0.3000 0.2201
301.65 0.5000 0.1652
301.65 0.7000 0.0792
303.15 0.0000 0.1851
303.15 0.1000 0.2315
303.15 0.3000 0.2392
303.15 0.5000 0.1928
303.15 0.6000 0.1521
303.15 0.7000 0.0899
308.15 0.0000 0.2356
308.15 0.1000 0.2826
308.15 0.3000 0.2936
308.15 0.5000 0.2611
308.15 0.6000 0.2147
308.15 0.7000 0.1818
308.15 0.8000 0.0985

Mole fraction of Vanillin (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Vanillin (2) - Liquid mixture 1
301.65 0.9196 0.0228
301.65 0.8117 0.0831
301.65 0.7447 0.1383
301.65 0.6860 0.2173
301.65 0.6553 0.2839
303.15 0.9233 0.0255
303.15 0.8402 0.0699
303.15 0.7811 0.1272
303.15 0.7227 0.1940
303.15 0.6941 0.2448
303.15 0.6732 0.2954
308.15 0.9305 0.0231
308.15 0.8608 0.0655
308.15 0.8304 0.0985
308.15 0.7782 0.1552
308.15 0.7542 0.1967
313.15 0.8118 0.1714
313.15 0.8594 0.1048
313.15 0.9174 0.0503

Mole fraction of Vanillin (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of 1-Propanol (1) - Liquid Mole fraction of Vanillin (2) - Liquid
303.15 0.0000 0.0396
303.15 0.0671 0.0424
303.15 0.1000 0.0970
303.15 0.1163 0.1023
303.15 0.1350 0.1470
303.15 0.1476 0.1393
303.15 0.1947 0.1746
303.15 0.2378 0.1954
303.15 0.2917 0.2227
303.15 0.3638 0.2354
303.15 0.4820 0.2350
303.15 0.4889 0.2334
303.15 0.8247 0.1753
303.15 0.0000 0.0020
303.15 0.1000 0.0980
313.15 0.0000 0.0080
313.15 0.0184 0.1243
313.15 0.0570 0.1566
313.15 0.0827 0.2136
313.15 0.1188 0.2760
313.15 0.1750 0.3010
313.15 0.2196 0.3436
313.15 0.2632 0.3403
313.15 0.3419 0.3313
313.15 0.4496 0.3449
313.15 0.6951 0.3049

Mole fraction of Vanillin (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Water (3) - Liquid Mole fraction of Vanillin (2) - Liquid
288.15 0.0000 0.0893
288.15 0.3000 0.1346
288.15 0.5000 0.0824
288.15 0.6000 0.0458
288.15 0.7000 0.0283
288.15 0.8000 0.0102
288.15 0.9000 0.0023
288.15 1.0000 0.0008
298.15 0.0000 0.1450
298.15 0.1000 0.1929
298.15 0.3000 0.2024
298.15 0.5000 0.1491
298.15 0.6000 0.1143
298.15 0.7000 0.0572
298.15 0.8000 0.0263
298.15 1.0000 0.0012
301.65 0.0000 0.1646
301.65 0.1000 0.2010
301.65 0.2000 0.2188
301.65 0.3000 0.2201
301.65 0.5000 0.1652
301.65 0.7000 0.0792
303.15 0.0000 0.1851
303.15 0.1000 0.2315
303.15 0.3000 0.2392
303.15 0.5000 0.1928
303.15 0.6000 0.1521
303.15 0.7000 0.0899
308.15 0.0000 0.2356
308.15 0.1000 0.2826
308.15 0.3000 0.2936
308.15 0.5000 0.2611
308.15 0.6000 0.2147
308.15 0.7000 0.1818
308.15 0.8000 0.0985

Mole fraction of Vanillin (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Vanillin (2) - Liquid mixture 1
301.65 0.9196 0.0228
301.65 0.8117 0.0831
301.65 0.7447 0.1383
301.65 0.6860 0.2173
301.65 0.6553 0.2839
303.15 0.9233 0.0255
303.15 0.8402 0.0699
303.15 0.7811 0.1272
303.15 0.7227 0.1940
303.15 0.6941 0.2448
303.15 0.6732 0.2954
308.15 0.9305 0.0231
308.15 0.8608 0.0655
308.15 0.8304 0.0985
308.15 0.7782 0.1552
308.15 0.7542 0.1967
313.15 0.8118 0.1714
313.15 0.8594 0.1048
313.15 0.9174 0.0503

Mole fraction of Vanillin (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of 1-Propanol (1) - Liquid Mole fraction of Vanillin (2) - Liquid
303.15 0.0000 0.0396
303.15 0.0671 0.0424
303.15 0.1000 0.0970
303.15 0.1163 0.1023
303.15 0.1350 0.1470
303.15 0.1476 0.1393
303.15 0.1947 0.1746
303.15 0.2378 0.1954
303.15 0.2917 0.2227
303.15 0.3638 0.2354
303.15 0.4820 0.2350
303.15 0.4889 0.2334
303.15 0.8247 0.1753
303.15 0.0000 0.0020
303.15 0.1000 0.0980
313.15 0.0000 0.0080
313.15 0.0184 0.1243
313.15 0.0570 0.1566
313.15 0.0827 0.2136
313.15 0.1188 0.2760
313.15 0.1750 0.3010
313.15 0.2196 0.3436
313.15 0.2632 0.3403
313.15 0.3419 0.3313
313.15 0.4496 0.3449
313.15 0.6951 0.3049

Sources