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

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

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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
Sources

Physical Properties

Property Value Unit Source
Δf -789.45 kJ/mol Joback Calculated Property
Δfgas -1485.17 kJ/mol Joback Calculated Property
Δfus 65.96 kJ/mol Joback Calculated Property
Δvap 94.52 kJ/mol Joback Calculated Property
logPoct/wat 7.81 Crippen Calculated Property
Pc 794.39 kPa Joback Calculated Property
Tboil 1005.94 K Joback Calculated Property
Tc 1238.26 K Joback Calculated Property
Tfus 606.54 K Joback Calculated Property
Vc 1.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1325.20 J/mol×K 1005.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 15
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 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, ethyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl undecyl ester. Diethylmalonic acid, decyl pentafluorobenzyl ester. Diethylmalonic acid, heptadecyl pentafluorobenzyl ester. Diethylmalonic acid, hexadecyl pentafluorobenzyl ester.

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

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