Chemical Properties of Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester

Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C31H49F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-29(35)31(5-2,6-3)30(36)38-26-23-22-25(32)27(33)28(26)34/h22-23H,4-21,24H2,1-3H3
InChI Key
ZPORQSXWRIFSIW-UHFFFAOYSA-N
Formula
C31H49F3O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
542.72
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Physical Properties

Property Value Unit Source
ΔfusH° 79.48 kJ/mol Joback Calculated Property
log10WS -9.26 Relay (1.0) Calculated Property
logPoct/wat 9.620 Crippen Calculated Property
McVol 444.080 ml/mol McGowan Calculated Property
Pc 620.65 kPa Joback Calculated Property
Inp [3219.00; 3219.00]   Show Hide
Inp 3219.00 NIST
Inp 3219.00 NIST
Tboil 686.66 K Relay (1.0) Calculated Property
Tfus 317.97 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 [669.31; 1529.90] 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 A2.83190e+01
Coefficient B2.74306e+00
Coefficient C-1.52448e-03
Coefficient D2.83000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 669.31 J/mol×K 273.00 Calculated Property
Cp,gas 820.48 J/mol×K 353.78 Calculated Property
Cp,gas 955.67 J/mol×K 434.56 Calculated Property
Cp,gas 1075.79 J/mol×K 515.33 Calculated Property
Cp,gas 1181.71 J/mol×K 596.11 Calculated Property
Cp,gas 1274.35 J/mol×K 676.89 Calculated Property
Cp,gas 1354.59 J/mol×K 757.67 Calculated Property
Cp,gas 1423.33 J/mol×K 838.44 Calculated Property
Cp,gas 1481.47 J/mol×K 919.22 Calculated Property
Cp,gas 1529.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Diethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl hexyl ester.

Find more compounds similar to Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester.

Sources

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