Chemical Properties of Acetic acid, (2,3,6-trifluorophenyl)methyl ester

Acetic acid, (2,3,6-trifluorophenyl)methyl ester

InChI
InChI=1S/C9H7F3O2/c1-5(13)14-4-6-7(10)2-3-8(11)9(6)12/h2-3H,4H2,1H3
InChI Key
UFIWXJARBOUIJO-UHFFFAOYSA-N
Formula
C9H7F3O2
SMILES
CC(=O)OCc1c(F)ccc(F)c1F
Molecular Weight1
204.15
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Physical Properties

Property Value Unit Source
ΔfusH° 25.55 kJ/mol Joback Calculated Property
ΔvapH° 64.34 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.167 Crippen Calculated Property
McVol 126.660 ml/mol McGowan Calculated Property
Inp 1177.00 NIST
Tboil 472.84 K Relay (1.0) Calculated Property
Tfus 283.96 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [277.63; 331.63] J/mol×K [503.17; 689.20] Show Hide
Cp,gas 277.63 J/mol×K 503.17 Joback Calculated Property
Cp,gas 287.78 J/mol×K 534.18 Joback Calculated Property
Cp,gas 297.47 J/mol×K 565.18 Joback Calculated Property
Cp,gas 306.70 J/mol×K 596.19 Joback Calculated Property
Cp,gas 315.47 J/mol×K 627.19 Joback Calculated Property
Cp,gas 323.78 J/mol×K 658.20 Joback Calculated Property
Cp,gas 331.63 J/mol×K 689.20 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Acetic acid, (2,3,6-trifluorophenyl)methyl ester.

Sources

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