Chemical Properties of Formic acid, (2-(trifluoromethyl)phenyl)methyl ester

Formic acid, (2-(trifluoromethyl)phenyl)methyl ester

InChI
InChI=1S/C9H7F3O2/c10-9(11,12)8-4-2-1-3-7(8)5-14-6-13/h1-4,6H,5H2
InChI Key
KDIITQYLVWZKSH-UHFFFAOYSA-N
Formula
C9H7F3O2
SMILES
O=COCc1ccccc1C(F)(F)F
Molecular Weight1
204.15
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Physical Properties

Property Value Unit Source
ΔfusH° 20.59 kJ/mol Joback Calculated Property
logPoct/wat 2.378 Crippen Calculated Property
McVol 126.660 ml/mol McGowan Calculated Property
Inp 1114.00 NIST
Tboil 468.53 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [175.66; 376.74] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.60990e+01
Coefficient B9.29900e-01
Coefficient C-7.63760e-04
Coefficient D2.36700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 175.66 J/mol×K 273.00 Calculated Property
Cp,gas 217.77 J/mol×K 353.78 Calculated Property
Cp,gas 253.19 J/mol×K 434.56 Calculated Property
Cp,gas 282.67 J/mol×K 515.33 Calculated Property
Cp,gas 306.96 J/mol×K 596.11 Calculated Property
Cp,gas 326.81 J/mol×K 676.89 Calculated Property
Cp,gas 342.96 J/mol×K 757.67 Calculated Property
Cp,gas 356.17 J/mol×K 838.44 Calculated Property
Cp,gas 367.18 J/mol×K 919.22 Calculated Property
Cp,gas 376.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Acetic acid, (2-(trifluoromethyl)phenyl)methyl ester. Benzoic acid, (2-(trifluoromethyl)phenyl)methyl ester. Formic acid, (2-methylphenyl)methyl ester. Phthalic acid, di(2-trifluorobenzyl) ester. 2-(Trifluoromethyl)benzyl alcohol. Succinic acid, di(2-(trifluoromethyl)benzyl) ester. 4-(Methylthio)benzoic acid, 2-(trifluoromethyl)benzyl ester. Phthalic acid, ethyl 2-trifluoromethylbenzyl ester. Succinic acid, ethyl 2-(trifluoromethyl)benzyl ester. Glutaric acid, di(2-(trifluoromethyl)benzyl) ester. (2-Methylphenyl) methanol, ethyl ether. 3-Methoxybenzoic acid, 2-(trifluoromethyl)benzyl ester. (2-Methylphenyl) methanol, isopropyl ether. Glutaric acid, ethyl 2-(trifluoromethyl)benzyl ester. Succinic acid, propyl 2-(trifluoromethyl)benzyl ester.

Find more compounds similar to Formic acid, (2-(trifluoromethyl)phenyl)methyl ester.

Sources

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