Chemical Properties of Terephthalic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester

Terephthalic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI
InChI=1S/C19H22F6O4/c1-2-3-4-5-6-11-28-15(26)13-7-9-14(10-8-13)16(27)29-12-18(21,22)17(20)19(23,24)25/h7-10,17H,2-6,11-12H2,1H3
InChI Key
DHUCEWFZXGWHCK-UHFFFAOYSA-N
Formula
C19H22F6O4
SMILES
CCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)C(F)(F)F)cc1
Molecular Weight1
428.37
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Physical Properties

Property Value Unit Source
ω 0.9719 Relay (1.0) Calculated Property
ΔfusH° 47.48 kJ/mol Joback Calculated Property
log10WS -6.74 Relay (1.0) Calculated Property
logPoct/wat 5.506 Crippen Calculated Property
McVol 280.310 ml/mol McGowan Calculated Property
Pc 1156.93 kPa Joback Calculated Property
Inp 2325.00 NIST
Tboil 622.27 K Relay (1.0) Calculated Property
Tc 777.59 K Relay (1.0) Calculated Property
Tfus 291.01 K Relay (1.0) Calculated Property
Vc 1.038 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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 [432.47; 940.11] 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 A2.74700e+00
Coefficient B1.88912e+00
Coefficient C-1.22996e-03
Coefficient D2.78200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 432.47 J/mol×K 273.00 Calculated Property
Cp,gas 529.45 J/mol×K 353.78 Calculated Property
Cp,gas 614.24 J/mol×K 434.56 Calculated Property
Cp,gas 687.71 J/mol×K 515.33 Calculated Property
Cp,gas 750.74 J/mol×K 596.11 Calculated Property
Cp,gas 804.21 J/mol×K 676.89 Calculated Property
Cp,gas 849.00 J/mol×K 757.67 Calculated Property
Cp,gas 886.00 J/mol×K 838.44 Calculated Property
Cp,gas 916.07 J/mol×K 919.22 Calculated Property
Cp,gas 940.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl octyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl nonyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl undecyl ester. Terephthalic acid, dodecyl 2,2,3,4,4,4-hexafluorobutyl ester. Terephthalic acid, decyl 2,2,3,4,4,4-hexafluorobutyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl hexyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl pentyl ester. Terephthalic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester. Terephthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester. Terephthalic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester.

Find more compounds similar to Terephthalic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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