Chemical Properties of Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester

Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C15H23F3O4/c1-4-6-7-12(5-2)10-21-13(19)8-9-14(20)22-11(3)15(16,17)18/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+
InChI Key
JVUVRLBFZQCDSG-CMDGGOBGSA-N
Formula
C15H23F3O4
SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)OC(C)C(F)(F)F
Molecular Weight1
324.34
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Physical Properties

Property Value Unit Source
ΔfusH° 38.33 kJ/mol Joback Calculated Property
log10WS -5.08 Relay (1.0) Calculated Property
logPoct/wat 3.796 Crippen Calculated Property
McVol 238.100 ml/mol McGowan Calculated Property
Pc 1375.82 kPa Joback Calculated Property
Inp [1610.00; 1610.00]   Show Hide
Inp 1610.00 NIST
Inp 1610.00 NIST
Tboil 542.80 K Relay (1.0) Calculated Property
Tfus 256.72 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [364.87; 802.59] 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 A1.63250e+01
Coefficient B1.51226e+00
Coefficient C-9.14200e-04
Coefficient D1.88200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.87 J/mol×K 273.00 Calculated Property
Cp,gas 445.24 J/mol×K 353.78 Calculated Property
Cp,gas 516.29 J/mol×K 434.56 Calculated Property
Cp,gas 578.62 J/mol×K 515.33 Calculated Property
Cp,gas 632.81 J/mol×K 596.11 Calculated Property
Cp,gas 679.46 J/mol×K 676.89 Calculated Property
Cp,gas 719.17 J/mol×K 757.67 Calculated Property
Cp,gas 752.53 J/mol×K 838.44 Calculated Property
Cp,gas 780.13 J/mol×K 919.22 Calculated Property
Cp,gas 802.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2,4,4-trimethylpentyl 1,1,1-trifluoroprop-2-yl ester. Fumaric acid, 2-ethylbutyl 2-ethylhexyl ester. Bis(2-ethylhexyl) maleate. 2-Butenedioic acid (E)-, bis(2-ethylhexyl) ester. Fumaric acid, 4-octyl cyclohexylmethyl ester. Fumaric acid, 2-methylpentyl 2-ethylhexyl ester. Fumaric acid, 2-ethylhexyl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 2-ethylbutyl dec-2-yl ester. Fumaric acid, 2-methylpentyl dec-2-yl ester. Fumaric acid, 2-ethylbutyl nonyl ester. Fumaric acid, dodecyl 2-ethylbutyl ester. Fumaric acid, 2-ethylbutyl undecyl ester. Fumaric acid, 2-ethylbutyl octyl ester. Fumaric acid, 2-ethylbutyl tridecyl ester. Fumaric acid, decyl 2-ethylbutyl ester.

Find more compounds similar to Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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