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

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

InChI
InChI=1S/C16H16F6O4/c1-9(2)7-25-12(23)10-3-5-11(6-4-10)13(24)26-8-15(18,19)14(17)16(20,21)22/h3-6,9,14H,7-8H2,1-2H3
InChI Key
CQKXHXVUWRISSH-UHFFFAOYSA-N
Formula
C16H16F6O4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCC(F)(F)C(F)C(F)(F)F)cc1
Molecular Weight1
386.29
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Physical Properties

Property Value Unit Source
ΔfusH° 36.19 kJ/mol Joback Calculated Property
log10WS -5.63 Relay (1.0) Calculated Property
logPoct/wat 4.192 Crippen Calculated Property
McVol 238.040 ml/mol McGowan Calculated Property
Inp [1937.00; 1937.00]   Show Hide
Inp 1937.00 NIST
Inp 1937.00 NIST
Tboil 588.23 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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 [368.51; 785.87] 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 A3.79200e+00
Coefficient B1.61004e+00
Coefficient C-1.06996e-03
Coefficient D2.42000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 368.51 J/mol×K 273.00 Calculated Property
Cp,gas 450.19 J/mol×K 353.78 Calculated Property
Cp,gas 521.25 J/mol×K 434.56 Calculated Property
Cp,gas 582.47 J/mol×K 515.33 Calculated Property
Cp,gas 634.61 J/mol×K 596.11 Calculated Property
Cp,gas 678.43 J/mol×K 676.89 Calculated Property
Cp,gas 714.70 J/mol×K 757.67 Calculated Property
Cp,gas 744.19 J/mol×K 838.44 Calculated Property
Cp,gas 767.66 J/mol×K 919.22 Calculated Property
Cp,gas 785.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl propyl ester. Terephthalic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester. Terephthalic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Benzoic acid, 2,2,3,4,4,4-hexafluorobutyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl pentyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl hexyl ester. Terephthalic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl undecyl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl octyl 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 nonyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Terephthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

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

Sources

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