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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1560.82; 1645.06] J/mol×K [1061.52; 1326.50] Show Hide
Cp,gas 1560.82 J/mol×K 1061.52 Joback Calculated Property
Cp,gas 1580.09 J/mol×K 1105.68 Joback Calculated Property
Cp,gas 1597.07 J/mol×K 1149.85 Joback Calculated Property
Cp,gas 1611.91 J/mol×K 1194.01 Joback Calculated Property
Cp,gas 1624.76 J/mol×K 1238.17 Joback Calculated Property
Cp,gas 1635.76 J/mol×K 1282.33 Joback Calculated Property
Cp,gas 1645.06 J/mol×K 1326.50 Joback 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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