Chemical Properties of Terephthalic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester

Terephthalic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester

InChI
InChI=1S/C15H15F5O4/c1-9(2)7-23-12(21)10-3-5-11(6-4-10)13(22)24-8-14(16,17)15(18,19)20/h3-6,9H,7-8H2,1-2H3
InChI Key
INMXNBCTWFWDSB-UHFFFAOYSA-N
Formula
C15H15F5O4
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)F)cc1
Molecular Weight1
354.27
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Physical Properties

Property Value Unit Source
ΔfusH° 30.88 kJ/mol Joback Calculated Property
log10WS -5.44 Relay (1.0) Calculated Property
logPoct/wat 3.854 Crippen Calculated Property
McVol 222.180 ml/mol McGowan Calculated Property
Inp [1928.00; 1928.00]   Show Hide
Inp 1928.00 NIST
Inp 1928.00 NIST
Tboil 569.56 K Relay (1.0) Calculated Property
Tfus 311.10 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [638.33; 703.07] J/mol×K [716.29; 905.39] Show Hide
Cp,gas 638.33 J/mol×K 716.29 Joback Calculated Property
Cp,gas 651.23 J/mol×K 747.81 Joback Calculated Property
Cp,gas 663.23 J/mol×K 779.32 Joback Calculated Property
Cp,gas 674.37 J/mol×K 810.84 Joback Calculated Property
Cp,gas 684.70 J/mol×K 842.35 Joback Calculated Property
Cp,gas 694.25 J/mol×K 873.87 Joback Calculated Property
Cp,gas 703.07 J/mol×K 905.39 Joback Calculated Property

Similar Compounds

Terephthalic acid, 2,2,3,3,3-pentafluoropropyl propyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Terephthalic acid, isobutyl 2,2,2-trifluoroethyl ester. 1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) ester. Terephthalic acid, butyl 2,2,3,3,3-pentafluoropropyl ester. Terephthalic acid, ethyl 2,2,3,3,3-pentafluoropropyl ester. Terephthalic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester. Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Terephthalic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester. Benzoic acid, 2-methylpropyl ester. Terephthalic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester. Terephthalic acid, 2,2-dichloroethyl isobutyl ester. Benzoic acid, 4-methyl-, 2-methylpropyl ester. Terephthalic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester.

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

Sources

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