Chemical Properties of Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester

Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester

InChI
InChI=1S/C27H41F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-33-25(31)27(5-2,6-3)26(32)34-20-21-18-23(29)24(30)19-22(21)28/h18-19H,4-17,20H2,1-3H3
InChI Key
AFKZKINHPLECJT-UHFFFAOYSA-N
Formula
C27H41F3O4
SMILES
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
486.61
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Physical Properties

Property Value Unit Source
ΔfusH° 65.96 kJ/mol Joback Calculated Property
logPoct/wat 7.808 Crippen Calculated Property
McVol 387.720 ml/mol McGowan Calculated Property
Inp [2776.00; 2776.00]   Show Hide
Inp 2776.00 NIST
Inp 2776.00 NIST
Tboil 661.72 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1325.20; 1407.94] J/mol×K [1005.94; 1238.26] Show Hide
Cp,gas 1325.20 J/mol×K 1005.94 Joback Calculated Property
Cp,gas 1342.79 J/mol×K 1044.66 Joback Calculated Property
Cp,gas 1358.76 J/mol×K 1083.38 Joback Calculated Property
Cp,gas 1373.18 J/mol×K 1122.10 Joback Calculated Property
Cp,gas 1386.13 J/mol×K 1160.82 Joback Calculated Property
Cp,gas 1397.70 J/mol×K 1199.54 Joback Calculated Property
Cp,gas 1407.94 J/mol×K 1238.26 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, heptadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tetradecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, hexyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, propyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester.

Find more compounds similar to Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester.

Sources

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