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

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

InChI
InChI=1S/C13H10F8O2/c1-7-2-4-8(5-3-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3
InChI Key
VFQPUOOYILXUNL-UHFFFAOYSA-N
Formula
C13H10F8O2
SMILES
Cc1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
Molecular Weight1
350.20
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Physical Properties

Property Value Unit Source
ΔfH°gas -1962.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.32 kJ/mol Joback Calculated Property
IE 9.41 eV Relay (1.0) Calculated Property
logPoct/wat 4.323 Crippen Calculated Property
McVol 191.870 ml/mol McGowan Calculated Property
Inp [1438.00; 1438.00]   Show Hide
Inp 1438.00 NIST
Inp 1438.00 NIST
Tboil 537.15 K Relay (1.0) Calculated Property
Tfus 308.10 K Relay (1.0) Calculated Property

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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [303.79; 638.06] 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-2.94990e+01
Coefficient B1.52332e+00
Coefficient C-1.20276e-03
Coefficient D3.47000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.79 J/mol×K 273.00 Calculated Property
Cp,gas 374.25 J/mol×K 353.78 Calculated Property
Cp,gas 433.82 J/mol×K 434.56 Calculated Property
Cp,gas 483.59 J/mol×K 515.33 Calculated Property
Cp,gas 524.67 J/mol×K 596.11 Calculated Property
Cp,gas 558.16 J/mol×K 676.89 Calculated Property
Cp,gas 585.14 J/mol×K 757.67 Calculated Property
Cp,gas 606.72 J/mol×K 838.44 Calculated Property
Cp,gas 624.00 J/mol×K 919.22 Calculated Property
Cp,gas 638.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzoic 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. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-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. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

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

Sources

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