Chemical Properties of Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester

Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C16H27F3O4/c1-5-8-9-10-11-22-13(20)15(6-2,7-3)14(21)23-12(4)16(17,18)19/h12H,5-11H2,1-4H3
InChI Key
DMYOAENQOJHBPG-UHFFFAOYSA-N
Formula
C16H27F3O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
340.38
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Physical Properties

Property Value Unit Source
ΔfH°gas -1627.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.82 kJ/mol Joback Calculated Property
ΔvapH° 77.55 kJ/mol Relay (1.0) Calculated Property
log10WS -4.29 Relay (1.0) Calculated Property
logPoct/wat 4.410 Crippen Calculated Property
McVol 256.490 ml/mol McGowan Calculated Property
Inp [1512.00; 1512.00]   Show Hide
Inp 1512.00 NIST
Inp 1512.00 NIST
Tboil 529.21 K Relay (1.0) Calculated Property
Tfus 270.05 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 [398.94; 885.69] 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 A6.80700e+00
Coefficient B1.70718e+00
Coefficient C-1.05340e-03
Coefficient D2.25100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 398.94 J/mol×K 273.00 Calculated Property
Cp,gas 488.89 J/mol×K 353.78 Calculated Property
Cp,gas 568.22 J/mol×K 434.56 Calculated Property
Cp,gas 637.63 J/mol×K 515.33 Calculated Property
Cp,gas 697.83 J/mol×K 596.11 Calculated Property
Cp,gas 749.54 J/mol×K 676.89 Calculated Property
Cp,gas 793.47 J/mol×K 757.67 Calculated Property
Cp,gas 830.33 J/mol×K 838.44 Calculated Property
Cp,gas 860.83 J/mol×K 919.22 Calculated Property
Cp,gas 885.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, hexyl isopropyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester.

Find more compounds similar to Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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