Chemical Properties of 4-Fluorobenzoic acid, 3-methylbutyl ester

4-Fluorobenzoic acid, 3-methylbutyl ester

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

InChI
InChI=1S/C12H15FO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChI Key
UYMZAHGVRJBELF-UHFFFAOYSA-N
Formula
C12H15FO2
SMILES
CC(C)CCOC(=O)c1ccc(F)cc1
Molecular Weight1
210.24
Sources

Physical Properties

Property Value Unit Source
Δf -278.23 kJ/mol Joback Calculated Property
Δfgas -512.14 kJ/mol Joback Calculated Property
Δfus 22.83 kJ/mol Joback Calculated Property
Δvap 53.19 kJ/mol Joback Calculated Property
logPoct/wat 3.03 Crippen Calculated Property
Pc 2391.19 kPa Joback Calculated Property
Tboil 580.74 K Joback Calculated Property
Tc 782.26 K Joback Calculated Property
Tfus 321.69 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 402.33 J/mol×K 580.74 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluorobenzoic acid, 2-methylpentyl ester. 4-Fluorobenzoic acid, 8-chlorooctyl ester. Benzoic acid, 4-fluoro-, ethyl ester. 1-Butanol, 3-methyl-, benzoate. 4-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Fluorobenzoic acid, 3-methylbutyl ester. Benzoic acid, butyl ester. 4-Methylbenzoic acid, 3-methylbutyl ester. 1,4-Butanediol, dibenzoate. Terephthalic acid, butyl 3-methylbutyl ester. Terephthalic acid, ethyl 3-methylbutyl ester. Terephthalic acid, di(3-methylbutyl) ester. 4-Pentenyl benzoate. Benzoic acid, pentyl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 3-methylbutyl 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.