Chemical Properties of Terephthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester

Terephthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester

InChI
InChI=1S/C16H8F14O4/c17-11(18,13(21,22)15(25,26)27)5-33-9(31)7-1-2-8(4-3-7)10(32)34-6-12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2
InChI Key
DTGOJQNBPCNVOF-UHFFFAOYSA-N
Formula
C16H8F14O4
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)F)cc1
Molecular Weight1
530.21
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Physical Properties

Property Value Unit Source
ΔfusH° 38.22 kJ/mol Joback Calculated Property
log10WS -7.94 Relay (1.0) Calculated Property
logPoct/wat 5.666 Crippen Calculated Property
McVol 252.200 ml/mol McGowan Calculated Property
Inp [2187.00; 2187.00]   Show Hide
Inp 2187.00 NIST
Inp 2187.00 NIST
Tboil 564.32 K Relay (1.0) Calculated Property
Tfus 348.17 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, 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 [428.89; 847.23] 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-4.20080e+01
Coefficient B2.19580e+00
Coefficient C-1.88196e-03
Coefficient D5.75400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 428.89 J/mol×K 273.00 Calculated Property
Cp,gas 524.75 J/mol×K 353.78 Calculated Property
Cp,gas 604.02 J/mol×K 434.56 Calculated Property
Cp,gas 668.52 J/mol×K 515.33 Calculated Property
Cp,gas 720.07 J/mol×K 596.11 Calculated Property
Cp,gas 760.48 J/mol×K 676.89 Calculated Property
Cp,gas 791.59 J/mol×K 757.67 Calculated Property
Cp,gas 815.20 J/mol×K 838.44 Calculated Property
Cp,gas 833.14 J/mol×K 919.22 Calculated Property
Cp,gas 847.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Terephthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Terephthalic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Terephthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Chlorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 2,2,3,4,4,4-hexafluorobutyl ester. Phthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Terephthalic acid, ethyl 2,2,3,3,3-pentafluoropropyl ester.

Find more compounds similar to Terephthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester.

Sources

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