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

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

InChI
InChI=1S/C23H41F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-29-20(27)22(6-2,7-3)21(28)30-19(4)23(24,25)26/h19H,5-18H2,1-4H3
InChI Key
BRYLAYHIIFOQIK-UHFFFAOYSA-N
Formula
C23H41F3O4
SMILES
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
438.57
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Physical Properties

Property Value Unit Source
ΔfH°gas -1760.54 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.95 kJ/mol Joback Calculated Property
ΔvapH° 105.05 kJ/mol Relay (1.0) Calculated Property
log10WS -6.58 Relay (1.0) Calculated Property
logPoct/wat 7.141 Crippen Calculated Property
McVol 355.120 ml/mol McGowan Calculated Property
Inp 2194.00 NIST
Tboil 603.16 K Relay (1.0) Calculated Property
Tfus 294.75 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1159.67; 1255.23] J/mol×K [833.19; 1020.06] Show Hide
Cp,gas 1159.67 J/mol×K 833.19 Joback Calculated Property
Cp,gas 1178.49 J/mol×K 864.34 Joback Calculated Property
Cp,gas 1196.08 J/mol×K 895.48 Joback Calculated Property
Cp,gas 1212.49 J/mol×K 926.63 Joback Calculated Property
Cp,gas 1227.78 J/mol×K 957.77 Joback Calculated Property
Cp,gas 1242.01 J/mol×K 988.92 Joback Calculated Property
Cp,gas 1255.23 J/mol×K 1020.06 Joback 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, heptyl 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, tridecyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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