Chemical Properties of 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C12H7ClF8O2/c13-7-3-1-6(2-4-7)8(22)23-5-10(16,17)12(20,21)11(18,19)9(14)15/h1-4,9H,5H2
InChI Key
IJXZGAWCZPWOKT-UHFFFAOYSA-N
Formula
C12H7ClF8O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)cc1
Molecular Weight1
370.62
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Physical Properties

Property Value Unit Source
ΔfH°gas -1936.62 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.93 kJ/mol Joback Calculated Property
ΔvapH° 80.02 kJ/mol Relay (1.0) Calculated Property
IE 9.80 eV Relay (1.0) Calculated Property
logPoct/wat 4.668 Crippen Calculated Property
McVol 190.020 ml/mol McGowan Calculated Property
Inp [1486.00; 1486.00]   Show Hide
Inp 1486.00 NIST
Inp 1486.00 NIST
Tboil 541.37 K Relay (1.0) Calculated Property
Tfus 321.19 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [295.98; 594.74] 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-1.56990e+01
Coefficient B1.43510e+00
Coefficient C-1.16876e-03
Coefficient D3.44100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 295.98 J/mol×K 273.00 Calculated Property
Cp,gas 360.96 J/mol×K 353.78 Calculated Property
Cp,gas 415.46 J/mol×K 434.56 Calculated Property
Cp,gas 460.56 J/mol×K 515.33 Calculated Property
Cp,gas 497.35 J/mol×K 596.11 Calculated Property
Cp,gas 526.92 J/mol×K 676.89 Calculated Property
Cp,gas 550.36 J/mol×K 757.67 Calculated Property
Cp,gas 568.75 J/mol×K 838.44 Calculated Property
Cp,gas 583.18 J/mol×K 919.22 Calculated Property
Cp,gas 594.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 3-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chlorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Find more compounds similar to 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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