Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester

2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester

InChI
InChI=1S/C15H7F6NO4/c16-14(17,18)8-1-6-12(15(19,20)21)11(7-8)13(23)26-10-4-2-9(3-5-10)22(24)25/h1-7H
InChI Key
HQUDURDOGOMJHN-UHFFFAOYSA-N
Formula
C15H7F6NO4
SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
379.21
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Physical Properties

Property Value Unit Source
ΔfusH° 40.90 kJ/mol Joback Calculated Property
IE 9.68 eV Relay (1.0) Calculated Property
log10WS -6.12 Relay (1.0) Calculated Property
logPoct/wat 4.852 Crippen Calculated Property
McVol 210.170 ml/mol McGowan Calculated Property
Inp [1966.00; 1966.00]   Show Hide
Inp 1966.00 NIST
Inp 1966.00 NIST
Tboil 607.37 K Relay (1.0) Calculated Property
Tfus 378.74 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [607.74; 651.62] J/mol×K [810.32; 1033.89] Show Hide
Cp,gas 607.74 J/mol×K 810.32 Joback Calculated Property
Cp,gas 617.25 J/mol×K 847.58 Joback Calculated Property
Cp,gas 625.76 J/mol×K 884.84 Joback Calculated Property
Cp,gas 633.36 J/mol×K 922.11 Joback Calculated Property
Cp,gas 640.15 J/mol×K 959.37 Joback Calculated Property
Cp,gas 646.21 J/mol×K 996.63 Joback Calculated Property
Cp,gas 651.62 J/mol×K 1033.89 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 4-nitrophenyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, phenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-cyanophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dichlorophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,4-dimethylphenyl ester. o-Toluic acid, 4-nitrophenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3,5-difluophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 2,5-Ditrifluoromethylbenzoic acid, 4-benzyloxyphenyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-nitrophenyl ester.

Sources

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