Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-difluophenyl ester

2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-difluophenyl ester

InChI
InChI=1S/C14H6F6O2/c15-7-4-8(16)6-9(5-7)22-13(21)10-2-1-3-11(12(10)17)14(18,19)20/h1-6H
InChI Key
XXABOBBXNZSSHT-UHFFFAOYSA-N
Formula
C14H6F6O2
SMILES
O=C(Oc1cc(F)cc(F)c1)c1cccc(C(F)(F)F)c1F
Molecular Weight1
320.19
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
ΔfusH° 33.98 kJ/mol Joback Calculated Property
log10WS -5.77 Relay (1.0) Calculated Property
logPoct/wat 4.342 Crippen Calculated Property
McVol 178.660 ml/mol McGowan Calculated Property
Inp [1588.00; 1588.00]   Show Hide
Inp 1588.00 NIST
Inp 1588.00 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 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 [460.32; 516.92] J/mol×K [643.81; 840.83] Show Hide
Cp,gas 460.32 J/mol×K 643.81 Joback Calculated Property
Cp,gas 471.76 J/mol×K 676.65 Joback Calculated Property
Cp,gas 482.35 J/mol×K 709.48 Joback Calculated Property
Cp,gas 492.13 J/mol×K 742.32 Joback Calculated Property
Cp,gas 501.13 J/mol×K 775.16 Joback Calculated Property
Cp,gas 509.38 J/mol×K 807.99 Joback Calculated Property
Cp,gas 516.92 J/mol×K 840.83 Joback Calculated Property

Similar Compounds

2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-cyanophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-chlorophenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 3-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 3-methylphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3,5-difluophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2-Fluorobenzoic acid, 3,5-difluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 3,5-difluophenyl ester.

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, 3,5-difluophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.