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

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

InChI
InChI=1S/C18H20F6O4/c1-2-3-4-5-10-27-14(25)12-6-8-13(9-7-12)15(26)28-11-17(20,21)16(19)18(22,23)24/h6-9,16H,2-5,10-11H2,1H3
InChI Key
CARYOMYDKZDRJU-UHFFFAOYSA-N
Formula
C18H20F6O4
SMILES
CCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)C(F)(F)F)cc1
Molecular Weight1
414.34
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Physical Properties

Property Value Unit Source
ω 0.9329 Relay (1.0) Calculated Property
ΔfusH° 44.89 kJ/mol Joback Calculated Property
log10WS -6.43 Relay (1.0) Calculated Property
logPoct/wat 5.116 Crippen Calculated Property
McVol 266.220 ml/mol McGowan Calculated Property
Pc 1236.35 kPa Joback Calculated Property
Inp [2225.00; 2225.00]   Show Hide
Inp 2225.00 NIST
Inp 2225.00 NIST
Tboil 611.10 K Relay (1.0) Calculated Property
Tc 767.50 K Relay (1.0) Calculated Property
Tfus 289.18 K Relay (1.0) Calculated Property
Vc 0.984 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 [411.26; 888.52] 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 A3.65600e+00
Coefficient B1.79412e+00
Coefficient C-1.17556e-03
Coefficient D2.66300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 411.26 J/mol×K 273.00 Calculated Property
Cp,gas 503.04 J/mol×K 353.78 Calculated Property
Cp,gas 583.16 J/mol×K 434.56 Calculated Property
Cp,gas 652.48 J/mol×K 515.33 Calculated Property
Cp,gas 711.83 J/mol×K 596.11 Calculated Property
Cp,gas 762.05 J/mol×K 676.89 Calculated Property
Cp,gas 803.99 J/mol×K 757.67 Calculated Property
Cp,gas 838.48 J/mol×K 838.44 Calculated Property
Cp,gas 866.38 J/mol×K 919.22 Calculated Property
Cp,gas 888.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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