Chemical Properties of Pentafluorobenzoic acid, 2,2,2-trichloroethyl ester

Pentafluorobenzoic acid, 2,2,2-trichloroethyl ester

InChI
InChI=1S/C9H2Cl3F5O2/c10-9(11,12)1-19-8(18)2-3(13)5(15)7(17)6(16)4(2)14/h1H2
InChI Key
YNOZJVPRCHEEIX-UHFFFAOYSA-N
Formula
C9H2Cl3F5O2
SMILES
O=C(OCC(Cl)(Cl)Cl)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
343.46
Other Names
  • Pentafluorobenzoic acid, 2,2,2-trichloroethyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 34.53 kJ/mol Joback Calculated Property
IE 10.51 eV Relay (1.0) Calculated Property
logPoct/wat 3.909 Crippen Calculated Property
McVol 166.920 ml/mol McGowan Calculated Property
Inp [1441.00; 1447.00]   Show Hide
Inp 1441.00 NIST
Inp 1447.00 NIST
Inp 1441.00 NIST
Tboil 517.14 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, 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 [364.74; 400.79] J/mol×K [638.60; 835.61] Show Hide
Cp,gas 364.74 J/mol×K 638.60 Joback Calculated Property
Cp,gas 371.92 J/mol×K 671.44 Joback Calculated Property
Cp,gas 378.62 J/mol×K 704.27 Joback Calculated Property
Cp,gas 384.85 J/mol×K 737.11 Joback Calculated Property
Cp,gas 390.61 J/mol×K 769.94 Joback Calculated Property
Cp,gas 395.92 J/mol×K 802.78 Joback Calculated Property
Cp,gas 400.79 J/mol×K 835.61 Joback Calculated Property

Similar Compounds

2,2-Dichloroethyl 2,3,4,5,6-pentafluorobenzoate. Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, ethyl ester. Ethane-1,2-diyl bis(2,3,4,5,6-pentafluorobenzoate). Methyl pentafluorobenzoate. 2-Methoxyethyl 2,3,4,5,6-pentafluorobenzoate. Neopentyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, isopropyl ester. Pentafluorobenzoic acid, 3-chloroprop-2-enyl ester. Pentafluorobenzoic acid, propyl ester. Oxybis(ethane-2,1-diyl) bis(2,3,4,5,6-pentafluorobenzoate). 2-(2-Methoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-(2-Methoxyethoxy)ethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate. 2-Ethoxyethyl 2,3,4,5,6-pentafluorobenzoate.

Find more compounds similar to Pentafluorobenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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