Mixture of Ethanol + Water + Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester

Excel

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

Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester

Name
Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
InChI
InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
InChI Key
UUQHKWMIDYRWHH-UHFFFAOYSA-N
Formula
C10H12O4
SMILES
COC(=O)c1c(C)cc(O)c(C)c1O
Mol. Weight (g/mol)
196.20
CAS
4707-47-5
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Datasets

  1. Mole fraction (2)

Mole fraction of Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Mole fraction of Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester (3) - Liquid
283.15 0.2000 0.0001
283.15 0.3000 0.0002
283.15 0.4000 0.0010
283.15 0.5000 0.0039
283.15 0.6000 0.0111
283.15 0.7000 0.0182
283.15 0.8000 0.0363
283.15 0.9000 0.0485
293.15 0.2000 0.0001
293.15 0.3000 0.0003
293.15 0.4000 0.0019
293.15 0.5000 0.0066
293.15 0.6000 0.0153
293.15 0.7000 0.0298
293.15 0.8000 0.0493
293.15 0.9000 0.0722
303.15 0.2000 0.0002
303.15 0.3000 0.0005
303.15 0.4000 0.0040
303.15 0.5000 0.0095
303.15 0.6000 0.0234
303.15 0.7000 0.0420
303.15 0.8000 0.0619
303.15 0.9000 0.0893
313.15 0.2000 0.0002
313.15 0.3000 0.0008
313.15 0.4000 0.0068
313.15 0.5000 0.0148
313.15 0.6000 0.0310
313.15 0.7000 0.0544
313.15 0.8000 0.0825
313.15 0.9000 0.1144
323.15 0.2000 0.0004
323.15 0.3000 0.0015
323.15 0.4000 0.0123
323.15 0.5000 0.0236
323.15 0.6000 0.0425
323.15 0.7000 0.0779
323.15 0.8000 0.0990
323.15 0.9000 0.1382
333.15 0.2000 0.0007
333.15 0.3000 0.0026
333.15 0.4000 0.0181
333.15 0.5000 0.0358
333.15 0.6000 0.0593
333.15 0.7000 0.1015
333.15 0.8000 0.1297
333.15 0.9000 0.1714

Mole fraction of Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester (3) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (1) - Liquid Mole fraction of Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester (3) - Liquid
283.15 0.2000 0.0001
283.15 0.3000 0.0002
283.15 0.4000 0.0010
283.15 0.5000 0.0039
283.15 0.6000 0.0111
283.15 0.7000 0.0182
283.15 0.8000 0.0363
283.15 0.9000 0.0485
293.15 0.2000 0.0001
293.15 0.3000 0.0003
293.15 0.4000 0.0019
293.15 0.5000 0.0066
293.15 0.6000 0.0153
293.15 0.7000 0.0298
293.15 0.8000 0.0493
293.15 0.9000 0.0722
303.15 0.2000 0.0002
303.15 0.3000 0.0005
303.15 0.4000 0.0040
303.15 0.5000 0.0095
303.15 0.6000 0.0234
303.15 0.7000 0.0420
303.15 0.8000 0.0619
303.15 0.9000 0.0893
313.15 0.2000 0.0002
313.15 0.3000 0.0008
313.15 0.4000 0.0068
313.15 0.5000 0.0148
313.15 0.6000 0.0310
313.15 0.7000 0.0544
313.15 0.8000 0.0825
313.15 0.9000 0.1144
323.15 0.2000 0.0004
323.15 0.3000 0.0015
323.15 0.4000 0.0123
323.15 0.5000 0.0236
323.15 0.6000 0.0425
323.15 0.7000 0.0779
323.15 0.8000 0.0990
323.15 0.9000 0.1382
333.15 0.2000 0.0007
333.15 0.3000 0.0026
333.15 0.4000 0.0181
333.15 0.5000 0.0358
333.15 0.6000 0.0593
333.15 0.7000 0.1015
333.15 0.8000 0.1297
333.15 0.9000 0.1714

Sources