Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl ester

InChI
InChI=1S/C13H14F4O2/c1-3-4-8(2)19-12(18)9-5-6-10(11(14)7-9)13(15,16)17/h5-8H,3-4H2,1-2H3
InChI Key
YSWKJOPZVPUTLA-UHFFFAOYSA-N
Formula
C13H14F4O2
SMILES
CCCC(C)OC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
278.24
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 26.86 kJ/mol Joback Calculated Property
logPoct/wat 4.190 Crippen Calculated Property
McVol 184.790 ml/mol McGowan Calculated Property
Inp 1350.00 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 [478.78; 549.87] J/mol×K [603.18; 788.04] Show Hide
Cp,gas 478.78 J/mol×K 603.18 Joback Calculated Property
Cp,gas 492.48 J/mol×K 633.99 Joback Calculated Property
Cp,gas 505.40 J/mol×K 664.80 Joback Calculated Property
Cp,gas 517.57 J/mol×K 695.61 Joback Calculated Property
Cp,gas 529.02 J/mol×K 726.42 Joback Calculated Property
Cp,gas 539.78 J/mol×K 757.23 Joback Calculated Property
Cp,gas 549.87 J/mol×K 788.04 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-pentyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 2-pentadecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 2-tetradecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 2-dodecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 2-tridecyl ester. 3,4-Difluorobenzoic acid, 2-pentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-tetradecyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-tridecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 5-tridecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 7-tridecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 5-dodecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 4-pentadecyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, 6-tetradecyl ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl 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.