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

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

InChI
InChI=1S/C14H7F4NO4/c15-12-10(2-1-3-11(12)14(16,17)18)13(20)23-9-6-4-8(5-7-9)19(21)22/h1-7H
InChI Key
ORVWIWVUMDEEPF-UHFFFAOYSA-N
Formula
C14H7F4NO4
SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1F
Molecular Weight1
329.20
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Physical Properties

Property Value Unit Source
ΔfusH° 39.57 kJ/mol Joback Calculated Property
IE 9.53 eV Relay (1.0) Calculated Property
logPoct/wat 3.972 Crippen Calculated Property
McVol 192.540 ml/mol McGowan Calculated Property
Inp [2134.00; 2134.00]   Show Hide
Inp 2134.00 NIST
Inp 2134.00 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, 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 [537.62; 582.95] J/mol×K [792.13; 1025.53] Show Hide
Cp,gas 537.62 J/mol×K 792.13 Joback Calculated Property
Cp,gas 547.60 J/mol×K 831.03 Joback Calculated Property
Cp,gas 556.52 J/mol×K 869.93 Joback Calculated Property
Cp,gas 564.45 J/mol×K 908.83 Joback Calculated Property
Cp,gas 571.45 J/mol×K 947.73 Joback Calculated Property
Cp,gas 577.59 J/mol×K 986.63 Joback Calculated Property
Cp,gas 582.95 J/mol×K 1025.53 Joback Calculated Property

Similar Compounds

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

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

Sources

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