Mixture of Tetradecanoic acid, 1-methylethyl ester + Triclosan

Name: Tetradecanoic acid, 1-methylethyl ester
InChI: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N
Formula: C17H34O2
SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
Mol. Weight (g/mol): 270.46
CAS: 110-27-0

Name: Triclosan
InChI: InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
InChI Key: XEFQLINVKFYRCS-UHFFFAOYSA-N
Formula: C12H7Cl3O2
SMILES: Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Mol. Weight (g/mol): 289.54
CAS: 3380-34-5

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

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid	Mole fraction of Triclosan (2) - Liquid
293.15	0.0422
298.15	0.0475
303.15	0.0527
308.15	0.0563
313.15	0.0594