Chemical Properties of Isovaleric acid, pentafluorophenyl ester

Isovaleric acid, pentafluorophenyl ester

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InChI
InChI=1S/C11H9F5O2/c1-4(2)3-5(17)18-11-9(15)7(13)6(12)8(14)10(11)16/h4H,3H2,1-2H3
InChI Key
WWEZUPWFTNXRAY-UHFFFAOYSA-N
Formula
C11H9F5O2
SMILES
CC(C)CC(=O)Oc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
268.18
Sources

Physical Properties

Property Value Unit Source
Δf -1104.41 kJ/mol Joback Calculated Property
Δfgas -1321.82 kJ/mol Joback Calculated Property
Δfus 31.01 kJ/mol Joback Calculated Property
Δvap 50.35 kJ/mol Joback Calculated Property
logPoct/wat 3.33 Crippen Calculated Property
Pc 2086.93 kPa Joback Calculated Property
Tboil 574.86 K Joback Calculated Property
Tc 749.37 K Joback Calculated Property
Tfus 362.86 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 385.86 J/mol×K 574.86 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Chlorobutyric acid, pentafluorophenyl ester. 4-Bromobutyric acid, pentafluorophenyl ester. Sebacic acid, di(pentafluorophenyl) ester. Glutaric acid, dipentafluorophenyl ester. 6-Chlorohexanoic acid, pentafluorophenyl ester. 2-Ethylbutyric acid, pentafluorophenyl ester. 3-Cyclopentylpropionic acid, pentafluorophenyl ester. Succinic acid, di(2,3,4-trifluorophenyl) ester. Sebacic acid, butyl pentafluorophenyl ester. Glutaric acid, ethyl pentafluorophenyl ester. Sebacic acid, decyl pentafluorophenyl ester. Sebacic acid, heptyl pentafluorophenyl ester. Sebacic acid, hexyl pentafluorophenyl ester. Sebacic acid, isohexyl pentafluorophenyl ester. Sebacic acid, isobutyl pentafluorophenyl ester.

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