Chemical Properties of Acetic acid, (2,4,5-trifluorophenyl)methyl ester

Acetic acid, (2,4,5-trifluorophenyl)methyl ester

InChI
InChI=1S/C9H7F3O2/c1-5(13)14-4-6-2-8(11)9(12)3-7(6)10/h2-3H,4H2,1H3
InChI Key
GMQRVWSJFJFOTM-UHFFFAOYSA-N
Formula
C9H7F3O2
SMILES
CC(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
204.15
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Physical Properties

Property Value Unit Source
ΔfusH° 25.55 kJ/mol Joback Calculated Property
ΔvapH° 62.95 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.167 Crippen Calculated Property
McVol 126.660 ml/mol McGowan Calculated Property
Inp 1148.00 NIST
Tboil 463.12 K Relay (1.0) Calculated Property
Tfus 277.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [187.73; 385.32] 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 A4.73810e+01
Coefficient B5.82020e-01
Coefficient C-2.50480e-04
Coefficient D6.40000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 187.73 J/mol×K 273.00 Calculated Property
Cp,gas 222.22 J/mol×K 353.78 Calculated Property
Cp,gas 253.53 J/mol×K 434.56 Calculated Property
Cp,gas 281.67 J/mol×K 515.33 Calculated Property
Cp,gas 306.68 J/mol×K 596.11 Calculated Property
Cp,gas 328.56 J/mol×K 676.89 Calculated Property
Cp,gas 347.35 J/mol×K 757.67 Calculated Property
Cp,gas 363.06 J/mol×K 838.44 Calculated Property
Cp,gas 375.71 J/mol×K 919.22 Calculated Property
Cp,gas 385.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

Acetic acid, (2,3,4,5-tetrafluorophenyl)methyl ester. 2,4,5-Trifluorobenzyl alcohol, chlorodifluoroacetate. 2,4,5-Trifluorobenzyl alcohol, tert.-butyl ether. Succinic acid, di(2,4,5-trifluorobenzyl) ester. Succinic acid, ethyl 2,4,5-trifluorobenzyl ester. 2,4,5-Trifluorobenzyl alcohol, isopropyl ether. Glutaric acid, di(2,4,5-trifluorobenzyl) ester. 2-Fluorobenzyl acetate. Acetic acid, (2,3,6-trifluorophenyl)methyl ester. Glutaric acid, 2,4,5-trifluorobenzyl ethyl ester. 2,4,5-Trifluorobenzyl alcohol, n-propyl ether. Succinic acid, propyl 2,4,5-trifluorobenzyl ester. 2,3,4,5-Tetrafluorobenzyl alcohol, ethyl ether. 2,3,4,5-Tetrafluorobenzyl alcohol, chlorodifluoroacetate. Glutaric acid, 2,4,5-trifluorobenzyl propyl ester.

Find more compounds similar to Acetic acid, (2,4,5-trifluorophenyl)methyl ester.

Sources

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