Chemical Properties of Fumaric acid, isobutyl pentafluorophenyl ester

Fumaric acid, isobutyl pentafluorophenyl ester

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InChI
InChI=1S/C14H11F5O4/c1-6(2)5-22-7(20)3-4-8(21)23-14-12(18)10(16)9(15)11(17)13(14)19/h3-4,6H,5H2,1-2H3/b4-3+
InChI Key
CPCPEQPLOBNXGY-ONEGZZNKSA-N
Formula
C14H11F5O4
SMILES
CC(C)COC(=O)C=CC(=O)Oc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
338.23
Sources

Physical Properties

Property Value Unit Source
Δf -1232.85 kJ/mol Joback Calculated Property
Δfgas -1511.32 kJ/mol Joback Calculated Property
Δfus 41.76 kJ/mol Joback Calculated Property
Δvap 66.14 kJ/mol Joback Calculated Property
logPoct/wat 3.04 Crippen Calculated Property
Pc 1766.90 kPa Joback Calculated Property
Tboil 723.95 K Joback Calculated Property
Tc 908.85 K Joback Calculated Property
Tfus 463.75 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 552.01 J/mol×K 723.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 2
=C< (ring) 6
-CH2- 1
-F 5
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, butyl pentafluorophenyl ester. Fumaric acid, ethyl pentafluorophenyl ester. Fumaric acid, isohexyl pentafluorophenyl ester. Fumaric acid, decyl pentafluorophenyl ester. Fumaric acid, pentafluorophenyl tetradecyl ester. Fumaric acid, heptyl pentafluorophenyl ester. Fumaric acid, pentadecyl pentafluorophenyl ester. Fumaric acid, dipentafluorophenyl ester. 2-Methylpropenoic acid, pentafluorophenyl ester. Glutaric acid, isobutyl pentafluorophenyl ester. Sebacic acid, isobutyl pentafluorophenyl ester. Chloroacetic acid, pentafluorophenyl ester. Sebacic acid, butyl pentafluorophenyl ester. Sebacic acid, decyl pentafluorophenyl ester. Sebacic acid, heptyl pentafluorophenyl ester.

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