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

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

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C29H45F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-35-27(33)29(5-2,6-3)28(34)36-22-23-20-25(31)26(32)21-24(23)30/h20-21H,4-19,22H2,1-3H3
InChI Key
KHKZMXBSYZBBCM-UHFFFAOYSA-N
Formula
C29H45F3O4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
514.66
Sources

Physical Properties

Property Value Unit Source
Δf -772.61 kJ/mol Joback Calculated Property
Δfgas -1526.45 kJ/mol Joback Calculated Property
Δfus 71.14 kJ/mol Joback Calculated Property
Δvap 98.98 kJ/mol Joback Calculated Property
logPoct/wat 8.59 Crippen Calculated Property
Pc 714.92 kPa Joback Calculated Property
Tboil 1051.70 K Joback Calculated Property
Tc 1304.96 K Joback Calculated Property
Tfus 629.08 K Joback Calculated Property
Vc 1.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1451.16 J/mol×K 1051.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 17
>C< 1
>C=O (nonring) 2
-CH3 3

Similar Compounds

Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 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, pentadecyl 2,4,5-trifluorobenzyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.