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

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

InChI
InChI=1S/C28H51F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34-25(32)27(6-2,7-3)26(33)35-24(4)28(29,30)31/h24H,5-23H2,1-4H3
InChI Key
RYCOYJIUHQOPRJ-UHFFFAOYSA-N
Formula
C28H51F3O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
508.71
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Physical Properties

Property Value Unit Source
ΔfH°gas -1857.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 67.90 kJ/mol Joback Calculated Property
ΔvapH° 124.19 kJ/mol Relay (1.0) Calculated Property
log10WS -8.02 Relay (1.0) Calculated Property
logPoct/wat 9.091 Crippen Calculated Property
McVol 425.570 ml/mol McGowan Calculated Property
Inp [2696.00; 2696.00]   Show Hide
Inp 2696.00 NIST
Inp 2696.00 NIST
Tboil 645.08 K Relay (1.0) Calculated Property
Tfus 308.52 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 [653.50; 1504.78] 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-4.10100e+00
Coefficient B2.84718e+00
Coefficient C-1.70620e-03
Coefficient D3.67900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 653.50 J/mol×K 273.00 Calculated Property
Cp,gas 805.91 J/mol×K 353.78 Calculated Property
Cp,gas 941.15 J/mol×K 434.56 Calculated Property
Cp,gas 1060.38 J/mol×K 515.33 Calculated Property
Cp,gas 1164.77 J/mol×K 596.11 Calculated Property
Cp,gas 1255.48 J/mol×K 676.89 Calculated Property
Cp,gas 1333.67 J/mol×K 757.67 Calculated Property
Cp,gas 1400.51 J/mol×K 838.44 Calculated Property
Cp,gas 1457.16 J/mol×K 919.22 Calculated Property
Cp,gas 1504.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

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, heptyl 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, octadecyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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