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

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

InChI
InChI=1S/C17H29F3O4/c1-5-8-9-10-11-12-23-14(21)16(6-2,7-3)15(22)24-13(4)17(18,19)20/h13H,5-12H2,1-4H3
InChI Key
JCZGOAUZRBUVAU-UHFFFAOYSA-N
Formula
C17H29F3O4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
354.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -1645.61 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.41 kJ/mol Joback Calculated Property
ΔvapH° 80.94 kJ/mol Relay (1.0) Calculated Property
log10WS -4.67 Relay (1.0) Calculated Property
logPoct/wat 4.800 Crippen Calculated Property
McVol 270.580 ml/mol McGowan Calculated Property
Inp [1603.00; 1603.00]   Show Hide
Inp 1603.00 NIST
Inp 1603.00 NIST
Tboil 541.85 K Relay (1.0) Calculated Property
Tfus 273.27 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 [420.15; 937.28] 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 A5.89800e+00
Coefficient B1.80218e+00
Coefficient C-1.10780e-03
Coefficient D2.37000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 420.15 J/mol×K 273.00 Calculated Property
Cp,gas 515.31 J/mol×K 353.78 Calculated Property
Cp,gas 599.30 J/mol×K 434.56 Calculated Property
Cp,gas 672.86 J/mol×K 515.33 Calculated Property
Cp,gas 736.75 J/mol×K 596.11 Calculated Property
Cp,gas 791.71 J/mol×K 676.89 Calculated Property
Cp,gas 838.49 J/mol×K 757.67 Calculated Property
Cp,gas 877.85 J/mol×K 838.44 Calculated Property
Cp,gas 910.53 J/mol×K 919.22 Calculated Property
Cp,gas 937.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, dodecyl 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, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 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 decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester.

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

Sources

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