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

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

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InChI
InChI=1S/C17H21F3O4/c1-4-7-23-15(21)17(5-2,6-3)16(22)24-10-11-8-13(19)14(20)9-12(11)18/h8-9H,4-7,10H2,1-3H3
InChI Key
SVAQYSJSEWWXQW-UHFFFAOYSA-N
Formula
C17H21F3O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F
Molecular Weight1
346.34
Sources

Physical Properties

Property Value Unit Source
Δf -873.65 kJ/mol Joback Calculated Property
Δfgas -1278.77 kJ/mol Joback Calculated Property
Δfus 40.06 kJ/mol Joback Calculated Property
Δvap 72.26 kJ/mol Joback Calculated Property
logPoct/wat 3.91 Crippen Calculated Property
Pc 1493.04 kPa Joback Calculated Property
Tboil 777.14 K Joback Calculated Property
Tc 969.24 K Joback Calculated Property
Tfus 493.84 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 727.48 J/mol×K 777.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 5
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, butyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, isobutyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, pentyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, ethyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester. Diethylmalonic acid, pentadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, tridecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, dodecyl 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, butyl pentafluorobenzyl ester. Diethylmalonic acid, isobutyl pentafluorobenzyl ester. Diethylmalonic acid, di(2,4,5-trifluorobenzyl) ester. Diethylmalonic acid, hexadecyl pentafluorobenzyl ester. Diethylmalonic acid, pentadecyl pentafluorobenzyl ester.

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

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