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

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

InChI
InChI=1S/C24H32F6O4/c1-2-3-4-5-6-7-8-9-10-11-16-33-20(31)18-12-14-19(15-13-18)21(32)34-17-23(26,27)22(25)24(28,29)30/h12-15,22H,2-11,16-17H2,1H3
InChI Key
PWOLXEJVGFVYJK-UHFFFAOYSA-N
Formula
C24H32F6O4
SMILES
CCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)C(F)(F)F)cc1
Molecular Weight1
498.50
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Physical Properties

Property Value Unit Source
ω 1.1607 Relay (1.0) Calculated Property
ΔfusH° 60.43 kJ/mol Joback Calculated Property
log10WS -8.10 Relay (1.0) Calculated Property
logPoct/wat 7.457 Crippen Calculated Property
McVol 350.760 ml/mol McGowan Calculated Property
Pc 854.96 kPa Joback Calculated Property
Inp 1642.00 NIST
Tboil 666.99 K Relay (1.0) Calculated Property
Tc 823.72 K Relay (1.0) Calculated Property
Tfus 301.11 K Relay (1.0) Calculated Property
Vc 1.308 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 [538.54; 1198.06] 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-1.79800e+00
Coefficient B2.36412e+00
Coefficient C-1.50196e-03
Coefficient D3.37700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 538.54 J/mol×K 273.00 Calculated Property
Cp,gas 661.54 J/mol×K 353.78 Calculated Property
Cp,gas 769.63 J/mol×K 434.56 Calculated Property
Cp,gas 863.86 J/mol×K 515.33 Calculated Property
Cp,gas 945.30 J/mol×K 596.11 Calculated Property
Cp,gas 1015.02 J/mol×K 676.89 Calculated Property
Cp,gas 1074.08 J/mol×K 757.67 Calculated Property
Cp,gas 1123.57 J/mol×K 838.44 Calculated Property
Cp,gas 1164.54 J/mol×K 919.22 Calculated Property
Cp,gas 1198.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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