Chemical Properties of Glutaric acid, 2-fluorobenzyl isobutyl ester

Glutaric acid, 2-fluorobenzyl isobutyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C16H21FO4/c1-12(2)10-20-15(18)8-5-9-16(19)21-11-13-6-3-4-7-14(13)17/h3-4,6-7,12H,5,8-11H2,1-2H3
InChI Key
GXBKJFFNTMVWCL-UHFFFAOYSA-N
Formula
C16H21FO4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1ccccc1F
Molecular Weight1
296.33
Sources

Physical Properties

Property Value Unit Source
Δf -478.47 kJ/mol Joback Calculated Property
Δfgas -839.50 kJ/mol Joback Calculated Property
Δfus 35.98 kJ/mol Joback Calculated Property
Δvap 71.25 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 1760.97 kPa Joback Calculated Property
Tboil 748.55 K Joback Calculated Property
Tc 946.59 K Joback Calculated Property
Tfus 438.93 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 656.73 J/mol×K 748.55 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Glutaric acid, 2-fluorobenzyl propyl ester. Glutaric acid, butyl 2-fluorobenzyl ester. Glutaric acid, ethyl 2-fluorobenzyl ester. Glutaric acid, 2-fluorobenzyl pentyl ester. Glutaric acid, 2-fluorobenzyl hexyl ester. Glutaric acid, 2-fluorobenzyl heptyl ester. Glutaric acid, 2-fluorobenzyl 2-methylhex-3-yl ester. Glutaric acid, butyl 2,5-difluorobenzyl ester. Glutaric acid, 2,5-difluorobenzyl pentyl ester. Glutaric acid, 2,5-difluorobenzyl octyl ester. Glutaric acid, 2,5-difluorobenzyl heptadecyl ester. Glutaric acid, 2,5-difluorobenzyl tridecyl ester. Glutaric acid, 4-fluorobenzyl isobutyl ester. Glutaric acid, 3-fluorobenzyl isobutyl ester. Glutaric acid, 1-(2-fluorophenyl)ethyl isobutyl ester.

Find more compounds similar to Glutaric acid, 2-fluorobenzyl isobutyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.