Chemical Properties of Sebacic acid, 1-(2-fluorophenyl)ethyl isobutyl ester

Sebacic acid, 1-(2-fluorophenyl)ethyl isobutyl ester

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InChI
InChI=1S/C22H33FO4/c1-17(2)16-26-21(24)14-8-6-4-5-7-9-15-22(25)27-18(3)19-12-10-11-13-20(19)23/h10-13,17-18H,4-9,14-16H2,1-3H3
InChI Key
MRLFFIHXGCCGFL-UHFFFAOYSA-N
Formula
C22H33FO4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OC(C)c1ccccc1F
Molecular Weight1
380.49
Sources

Physical Properties

Property Value Unit Source
Δf -430.39 kJ/mol Joback Calculated Property
Δfgas -968.62 kJ/mol Joback Calculated Property
Δfus 48.00 kJ/mol Joback Calculated Property
Δvap 84.22 kJ/mol Joback Calculated Property
logPoct/wat 5.75 Crippen Calculated Property
Pc 1148.32 kPa Joback Calculated Property
Tboil 885.39 K Joback Calculated Property
Tc 1088.02 K Joback Calculated Property
Tfus 491.55 K Joback Calculated Property
Vc 1.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1005.44 J/mol×K 885.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
-F 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
-CH3 3
>C=O (nonring) 2

Similar Compounds

Sebacic acid, di(1-(2-fluorophenyl)ethyl) ester. Sebacic acid, ethyl 1-(2-fluorophenyl)ethyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl isobutyl ester. Glutaric acid, decyl 1-(2-fluorophenyl)ethyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl nonyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl heptyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl hexyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl propyl ester. Glutaric acid, butyl 1-(2-fluorophenyl)ethyl ester. Glutaric acid, ethyl 1-(2-fluorophenyl)ethyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl pentyl ester. Succinic acid, 1-(2-fluorophenyl)ethyl heptyl ester. Succinic acid, 1-(2-fluorophenyl)ethyl hexyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester. Glutaric acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester.

Find more compounds similar to Sebacic acid, 1-(2-fluorophenyl)ethyl isobutyl ester.

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