Mixture of Thymol + LACTIC ACID, ETHYL ESTER + Water

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

LACTIC ACID, ETHYL ESTER

Name
LACTIC ACID, 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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Mole fraction

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