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

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

InChI
InChI=1S/C14H16F8O4/c1-8(2)5-6-25-9(23)3-4-10(24)26-7-12(17,18)14(21,22)13(19,20)11(15)16/h3-4,8,11H,5-7H2,1-2H3/b4-3+
InChI Key
IVRZADLFRIWRDA-ONEGZZNKSA-N
Formula
C14H16F8O4
SMILES
CC(C)CCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
400.26
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Physical Properties

Property Value Unit Source
ΔfH°gas -2440.24 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.31 kJ/mol Joback Calculated Property
ΔvapH° 79.93 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.846 Crippen Calculated Property
McVol 232.860 ml/mol McGowan Calculated Property
Inp [1548.00; 1548.00]   Show Hide
Inp 1548.00 NIST
Inp 1548.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [381.73; 789.28] 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-1.25700e+00
Coefficient B1.72784e+00
Coefficient C-1.28540e-03
Coefficient D3.48100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 381.73 J/mol×K 273.00 Calculated Property
Cp,gas 464.55 J/mol×K 353.78 Calculated Property
Cp,gas 535.42 J/mol×K 434.56 Calculated Property
Cp,gas 595.43 J/mol×K 515.33 Calculated Property
Cp,gas 645.70 J/mol×K 596.11 Calculated Property
Cp,gas 687.31 J/mol×K 676.89 Calculated Property
Cp,gas 721.38 J/mol×K 757.67 Calculated Property
Cp,gas 748.99 J/mol×K 838.44 Calculated Property
Cp,gas 771.26 J/mol×K 919.22 Calculated Property
Cp,gas 789.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, isohexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-ethylbutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 3-(2-methoxyethyl)heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester. Fumaric acid, 2-methylpentyl 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, heptyl 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, 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, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Fumaric acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

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

Sources

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