Chemical Properties of Fumaric acid, di(pentafluorobenzyl) ester

Fumaric acid, di(pentafluorobenzyl) ester

InChI
InChI=1S/C18H6F10O4/c19-9-5(10(20)14(24)17(27)13(9)23)3-31-7(29)1-2-8(30)32-4-6-11(21)15(25)18(28)16(26)12(6)22/h1-2H,3-4H2/b2-1+
InChI Key
IIQZBSJRHSWMSU-OWOJBTEDSA-N
Formula
C18H6F10O4
SMILES
O=C(/C=C/C(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
476.22
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Physical Properties

Property Value Unit Source
ΔfusH° 66.31 kJ/mol Joback Calculated Property
logPoct/wat 4.420 Crippen Calculated Property
McVol 245.240 ml/mol McGowan Calculated Property
Inp [2146.00; 2146.00]   Show Hide
Inp 2146.00 NIST
Inp 2146.00 NIST
Tboil 610.86 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, Log10 of Water solubility in mol/l 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 [398.98; 736.85] 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 A1.59252e+02
Coefficient B9.89400e-01
Coefficient C-4.06000e-04
Coefficient D-5.80000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 398.98 J/mol×K 273.00 Calculated Property
Cp,gas 458.21 J/mol×K 353.78 Calculated Property
Cp,gas 512.06 J/mol×K 434.56 Calculated Property
Cp,gas 560.51 J/mol×K 515.33 Calculated Property
Cp,gas 603.54 J/mol×K 596.11 Calculated Property
Cp,gas 641.15 J/mol×K 676.89 Calculated Property
Cp,gas 673.30 J/mol×K 757.67 Calculated Property
Cp,gas 699.98 J/mol×K 838.44 Calculated Property
Cp,gas 721.17 J/mol×K 919.22 Calculated Property
Cp,gas 736.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, ethyl pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 2,2-dichloroethyl ester. Fumaric acid, monoamide, N,N-dimethyl-, pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 3-methylbut-2-en-1-yl ester. Fumaric acid, pentafluorobenzyl naphth-2-ylmethyl ester. Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester. Fumaric acid, pentafluorobenzyl 3-methylbut-2-yl ester. Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester. Diglycolic acid, di(pentafluorobenzyl) ester. Fumaric acid, pentafluorobenzyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, pentafluorobenzyl hept-2-yl ester. Glutaric acid, dipentafluorobenzyl ester. Acetic acid, (2,3,4,5-tetrafluorophenyl)methyl ester.

Find more compounds similar to Fumaric acid, di(pentafluorobenzyl) ester.

Sources

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