Chemical Properties of Fumaric acid, 2-isopropoxyphenyl 2,2,3,3-tetrafluoropropyl ester

Fumaric acid, 2-isopropoxyphenyl 2,2,3,3-tetrafluoropropyl ester

InChI
InChI=1S/C16H16F4O5/c1-10(2)24-11-5-3-4-6-12(11)25-14(22)8-7-13(21)23-9-16(19,20)15(17)18/h3-8,10,15H,9H2,1-2H3/b8-7+
InChI Key
QABJWTPPBDQQOV-BQYQJAHWSA-N
Formula
C16H16F4O5
SMILES
CC(C)Oc1ccccc1OC(=O)/C=C/C(=O)OCC(F)(F)C(F)F
Molecular Weight1
364.29
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Physical Properties

Property Value Unit Source
ΔfusH° 38.84 kJ/mol Joback Calculated Property
log10WS -4.61 Relay (1.0) Calculated Property
logPoct/wat 3.379 Crippen Calculated Property
McVol 236.070 ml/mol McGowan Calculated Property
Inp [1866.00; 1866.00]   Show Hide
Inp 1866.00 NIST
Inp 1866.00 NIST
Tfus 355.21 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [354.98; 758.18] 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 A2.74010e+01
Coefficient B1.41744e+00
Coefficient C-8.38160e-04
Coefficient D1.51500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.98 J/mol×K 273.00 Calculated Property
Cp,gas 430.66 J/mol×K 353.78 Calculated Property
Cp,gas 497.51 J/mol×K 434.56 Calculated Property
Cp,gas 556.00 J/mol×K 515.33 Calculated Property
Cp,gas 606.61 J/mol×K 596.11 Calculated Property
Cp,gas 649.81 J/mol×K 676.89 Calculated Property
Cp,gas 686.09 J/mol×K 757.67 Calculated Property
Cp,gas 715.93 J/mol×K 838.44 Calculated Property
Cp,gas 739.80 J/mol×K 919.22 Calculated Property
Cp,gas 758.18 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-methoxyphenyl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 2-isopropoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 2-methoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-isopropoxyphenyl 8-chlorooctyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-isopropoxyphenyl 2,2-dichloroethyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 2-isopropoxyphenyl ester. Fumaric acid, 2-isopropoxyphenyl 2-ethylhexyl ester. Fumaric acid, 2-isopropoxyphenyl 3-methylbut-2-yl ester. Fumaric acid, 2-isopropoxyphenyl hept-2-yl ester. Fumaric acid, 2-isopropoxyphenyl 2-methylpent-3-yl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-isopropoxyphenyl ester. Succinic acid, 2-isopropoxyphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-isopropoxyphenyl ester.

Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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