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

Excel

Thymol

Name
Thymol
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI Key
MGSRCZKZVOBKFT-UHFFFAOYSA-N
Formula
C10H14O
SMILES
Cc1ccc(C(C)C)c(O)c1
Mol. Weight (g/mol)
150.22
CAS
89-83-8

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

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 Thymol (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Solvent: Mass fraction of Water (3) - Liquid Temperature, K - Liquid Mole fraction of Thymol (1) - Liquid
0.0003 301.00 0.6978
0.0003 303.50 0.7207
0.0003 307.50 0.7638
0.0003 308.40 0.7784
0.0003 309.30 0.7928
0.0003 311.00 0.8085
0.0003 313.30 0.8421
0.0003 317.80 0.8985
0.0140 301.40 0.6975
0.0140 304.30 0.7281
0.0140 307.50 0.7653
0.0140 307.80 0.7671
0.0140 308.30 0.7717
0.0140 316.50 0.8893
0.0140 318.60 0.9137

Mole fraction of Thymol (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Solvent: Mass fraction of Water (3) - Liquid Temperature, K - Liquid Mole fraction of Thymol (1) - Liquid
0.0003 301.00 0.6978
0.0003 303.50 0.7207
0.0003 307.50 0.7638
0.0003 308.40 0.7784
0.0003 309.30 0.7928
0.0003 311.00 0.8085
0.0003 313.30 0.8421
0.0003 317.80 0.8985
0.0140 301.40 0.6975
0.0140 304.30 0.7281
0.0140 307.50 0.7653
0.0140 307.80 0.7671
0.0140 308.30 0.7717
0.0140 316.50 0.8893
0.0140 318.60 0.9137

Sources