Chemical Properties of Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester

Succinic acid, 2-isopropoxyphenyl pentafluorobenzyl ester

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InChI
InChI=1S/C20H17F5O5/c1-10(2)29-12-5-3-4-6-13(12)30-15(27)8-7-14(26)28-9-11-16(21)18(23)20(25)19(24)17(11)22/h3-6,10H,7-9H2,1-2H3
InChI Key
WCTHNQBXUOLTIR-UHFFFAOYSA-N
Formula
C20H17F5O5
SMILES
CC(C)Oc1ccccc1OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
432.34
Sources

Physical Properties

Property Value Unit Source
Δf -1264.77 kJ/mol Joback Calculated Property
Δfgas -1659.54 kJ/mol Joback Calculated Property
Δfus 51.94 kJ/mol Joback Calculated Property
Δvap 84.89 kJ/mol Joback Calculated Property
logPoct/wat 4.60 Crippen Calculated Property
Pc 1363.65 kPa Joback Calculated Property
Tboil 911.15 K Joback Calculated Property
Tc 1119.22 K Joback Calculated Property
Tfus 597.62 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 838.97 J/mol×K 911.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
-F 5
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 8
-CH2- 3
-CH3 2

Similar Compounds

Succinic acid, 3,5-difluorophenyl pentafluorobenzyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester. MCPB, PFB. Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl pentafluorobenzyl ester. 2,4,5-TB PFB ester. CPIB PFB ester. Succinic acid, phenethyl pentafluorobenzyl ester. 2-Ethylbutyric acid, pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester. Pimelic acid, pentafluorobenzyl undecyl ester. Sebacic acid, pentafluorobenzyl undecyl ester. Sebacic acid, decyl pentafluorobenzyl ester.

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