Chemical Properties of Diethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester

Diethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester

InChI
InChI=1S/C16H26F4O4/c1-4-7-8-9-10-23-13(21)15(5-2,6-3)14(22)24-11-16(19,20)12(17)18/h12H,4-11H2,1-3H3
InChI Key
IRSZJBCSGQGHKA-UHFFFAOYSA-N
Formula
C16H26F4O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)F
Molecular Weight1
358.37
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Physical Properties

Property Value Unit Source
ΔfH°gas -1761.71 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.90 kJ/mol Joback Calculated Property
ΔvapH° 82.28 kJ/mol Relay (1.0) Calculated Property
log10WS -4.78 Relay (1.0) Calculated Property
logPoct/wat 4.360 Crippen Calculated Property
McVol 258.260 ml/mol McGowan Calculated Property
Inp [1569.00; 1569.00]   Show Hide
Inp 1569.00 NIST
Inp 1569.00 NIST
Tboil 546.77 K Relay (1.0) Calculated Property
Tfus 287.84 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 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 [407.14; 892.76] 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 A1.28980e+01
Coefficient B1.71896e+00
Coefficient C-1.06980e-03
Coefficient D2.30700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 407.14 J/mol×K 273.00 Calculated Property
Cp,gas 497.35 J/mol×K 353.78 Calculated Property
Cp,gas 576.79 J/mol×K 434.56 Calculated Property
Cp,gas 646.20 J/mol×K 515.33 Calculated Property
Cp,gas 706.31 J/mol×K 596.11 Calculated Property
Cp,gas 757.83 J/mol×K 676.89 Calculated Property
Cp,gas 801.51 J/mol×K 757.67 Calculated Property
Cp,gas 838.07 J/mol×K 838.44 Calculated Property
Cp,gas 868.24 J/mol×K 919.22 Calculated Property
Cp,gas 892.76 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, heptyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl undecyl ester. Diethylmalonic acid, pentadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, tridecyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl octyl ester. Diethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester.

Find more compounds similar to Diethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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