Chemical Properties of Terephthalic acid, di(1-(pentafluorophenyl)ethyl) ester

Terephthalic acid, di(1-(pentafluorophenyl)ethyl) ester

InChI
InChI=1S/C24H12F10O4/c1-7(11-13(25)17(29)21(33)18(30)14(11)26)37-23(35)9-3-5-10(6-4-9)24(36)38-8(2)12-15(27)19(31)22(34)20(32)16(12)28/h3-8H,1-2H3
InChI Key
VTXNWHSDQPMDLB-UHFFFAOYSA-N
Formula
C24H12F10O4
SMILES
CC(OC(=O)c1ccc(C(=O)OC(C)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
554.33
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Physical Properties

Property Value Unit Source
ΔfusH° 68.25 kJ/mol Joback Calculated Property
IE 9.57 eV Relay (1.0) Calculated Property
log10WS -9.72 Relay (1.0) Calculated Property
logPoct/wat 6.914 Crippen Calculated Property
McVol 310.320 ml/mol McGowan Calculated Property
Inp [2554.00; 2554.00]   Show Hide
Inp 2554.00 NIST
Inp 2554.00 NIST
Tboil 664.31 K Relay (1.0) Calculated Property
Tfus 408.67 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [484.93; 956.49] 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 A1.45010e+02
Coefficient B1.41284e+00
Coefficient C-6.19160e-04
Coefficient D1.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 484.93 J/mol×K 273.00 Calculated Property
Cp,gas 568.14 J/mol×K 353.78 Calculated Property
Cp,gas 643.51 J/mol×K 434.56 Calculated Property
Cp,gas 711.10 J/mol×K 515.33 Calculated Property
Cp,gas 770.97 J/mol×K 596.11 Calculated Property
Cp,gas 823.18 J/mol×K 676.89 Calculated Property
Cp,gas 867.78 J/mol×K 757.67 Calculated Property
Cp,gas 904.83 J/mol×K 838.44 Calculated Property
Cp,gas 934.38 J/mol×K 919.22 Calculated Property
Cp,gas 956.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, ethyl 1-(pentafluorophenyl)ethyl ester. Terephthalic acid, 1-(pentafluorophenyl)ethyl propyl ester. Terephthalic acid, isobutyl 1-(pentafluorophenyl)ethyl ester. Terephthalic acid, butyl 1-(pentafluorophenyl)ethyl ester. Terephthalic acid, 1-(pentafluorophenyl)ethyl pentyl ester. Terephthalic acid, hexyl 1-(pentafluorophenyl)ethyl ester. Terephthalic acid, heptyl 1-(pentafluorophenyl)ethyl ester. Terephthalic acid, octyl 1-(pentafluorophenyl)ethyl ester. Terephthalic acid, nonyl 1-(pentafluorophenyl)ethyl ester. 2,6-Difluoro-.alpha.-methylbenzyl alcohol, benzoate. Phthalic acid, di(1-(2,6-difluorophenyl)ethyl) ester. 4-(Methylthio)benzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester. 3-Methoxybenzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester. 1-Phenylethyl pentafluorobenzoate. Isophthalic acid, pentafluorobenzyl propyl ester.

Find more compounds similar to Terephthalic acid, di(1-(pentafluorophenyl)ethyl) ester.

Sources

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