Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester

InChI
InChI=1S/C14H15ClF4O2/c15-7-3-1-2-4-8-21-13(20)10-5-6-11(12(16)9-10)14(17,18)19/h5-6,9H,1-4,7-8H2
InChI Key
SOYROGXPZXSKRC-UHFFFAOYSA-N
Formula
C14H15ClF4O2
SMILES
O=C(OCCCCCCCl)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
326.71
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.

Physical Properties

Property Value Unit Source
Δfus 37.17 kJ/mol Joback Calculated Property
logPoct/wat 4.801 Crippen Calculated Property
McVol 211.120 ml/mol McGowan Calculated Property
Inp 1843.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [557.05; 624.33] J/mol×K [663.93; 848.47] Show Hide
Cp,gas 557.05 J/mol×K 663.93 Joback Calculated Property
Cp,gas 570.09 J/mol×K 694.69 Joback Calculated Property
Cp,gas 582.36 J/mol×K 725.44 Joback Calculated Property
Cp,gas 593.89 J/mol×K 756.20 Joback Calculated Property
Cp,gas 604.71 J/mol×K 786.95 Joback Calculated Property
Cp,gas 614.84 J/mol×K 817.71 Joback Calculated Property
Cp,gas 624.33 J/mol×K 848.47 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester. 3-Fluorobenzoic acid, 8-chlorooctyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 6-chlorohexyl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 6-chlorohexyl ester. 4-Fluorobenzoic acid, 8-chlorooctyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Trifluoromethylbenzoic acid, 8-chlorooctyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, hexyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, tridecyl ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.