Chemical Properties of Fumaric acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

Fumaric acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C27H42F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-38-22(36)18-19-23(37)39-21-25(30,31)27(34,35)26(32,33)24(28)29/h18-19,24H,2-17,20-21H2,1H3/b19-18+
InChI Key
IXTVOXNTQCCHAU-VHEBQXMUSA-N
Formula
C27H42F8O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
582.61
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Physical Properties

Property Value Unit Source
ΔfH°gas -2670.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 73.50 kJ/mol Joback Calculated Property
ΔvapH° 130.67 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 9.062 Crippen Calculated Property
McVol 416.030 ml/mol McGowan Calculated Property
Inp 2793.00 NIST
Tboil 661.69 K Relay (1.0) Calculated Property
Tfus 324.96 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [657.82; 1459.43] 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-1.13920e+01
Coefficient B2.95692e+00
Coefficient C-1.98940e-03
Coefficient D5.03300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 657.82 J/mol×K 273.00 Calculated Property
Cp,gas 808.00 J/mol×K 353.78 Calculated Property
Cp,gas 939.18 J/mol×K 434.56 Calculated Property
Cp,gas 1052.97 J/mol×K 515.33 Calculated Property
Cp,gas 1150.94 J/mol×K 596.11 Calculated Property
Cp,gas 1234.71 J/mol×K 676.89 Calculated Property
Cp,gas 1305.84 J/mol×K 757.67 Calculated Property
Cp,gas 1365.95 J/mol×K 838.44 Calculated Property
Cp,gas 1416.61 J/mol×K 919.22 Calculated Property
Cp,gas 1459.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester. Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester. Fumaric acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester. Fumaric acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, nonadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester.

Find more compounds similar to Fumaric acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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