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

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

InChI
InChI=1S/C15H9F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)5-6-11(26)30-9-3-1-8(2-4-9)24(27)28/h1-6,12H,7H2/b6-5+
InChI Key
PZDUQUDRWYMOKB-AATRIKPKSA-N
Formula
C15H9F8NO6
SMILES
O=C(C=CC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
451.22
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Physical Properties

Property Value Unit Source
ΔfusH° 47.43 kJ/mol Joback Calculated Property
IE 10.13 eV Relay (1.0) Calculated Property
logPoct/wat 3.771 Crippen Calculated Property
McVol 240.610 ml/mol McGowan Calculated Property
Inp 2183.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [375.72; 765.00] 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-1.45990e+01
Coefficient B1.77786e+00
Coefficient C-1.37916e-03
Coefficient D3.80900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 375.72 J/mol×K 273.00 Calculated Property
Cp,gas 458.62 J/mol×K 353.78 Calculated Property
Cp,gas 528.80 J/mol×K 434.56 Calculated Property
Cp,gas 587.46 J/mol×K 515.33 Calculated Property
Cp,gas 635.81 J/mol×K 596.11 Calculated Property
Cp,gas 675.04 J/mol×K 676.89 Calculated Property
Cp,gas 706.38 J/mol×K 757.67 Calculated Property
Cp,gas 731.01 J/mol×K 838.44 Calculated Property
Cp,gas 750.15 J/mol×K 919.22 Calculated Property
Cp,gas 765.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, naphth-2-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 4-bromophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 4-cyanophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, naphth-1-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 4-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-methoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 3-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-isopropoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-nitrophenyl ester. Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,5-dichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,6-dichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester. Fumaric acid, 3,5-dimethylphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

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

Sources

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