Chemical Properties of 4-Fluorobenzoic acid, 3-methylbut-2-yl ester

4-Fluorobenzoic acid, 3-methylbut-2-yl ester

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InChI
InChI=1S/C12H15FO2/c1-8(2)9(3)15-12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3
InChI Key
NVTKUZMJTQYAIU-UHFFFAOYSA-N
Formula
C12H15FO2
SMILES
CC(C)C(C)OC(=O)c1ccc(F)cc1
Molecular Weight1
210.24
Sources

Physical Properties

Property Value Unit Source
Δf -280.67 kJ/mol Joback Calculated Property
Δfgas -517.42 kJ/mol Joback Calculated Property
Δfus 19.31 kJ/mol Joback Calculated Property
Δvap 52.81 kJ/mol Joback Calculated Property
logPoct/wat 3.03 Crippen Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Tboil 580.30 K Joback Calculated Property
Tc 785.94 K Joback Calculated Property
Tfus 306.69 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 402.71 J/mol×K 580.3 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 1,2-dimethylpropyl ester. 3-Fluorobenzoic acid, 3-methylbut-2-yl ester. 4-Fluorobenzoic acid, 2-methylpentyl ester. 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluorobenzoic acid, 3-methylbutyl ester. Benzoic acid, 3,3-dimethylbut-2-yl ester. Benzoic acid, 2,4-dimethylpent-3-yl ester. 4-Methylbenzoic acid, 3-methylbut-2-yl ester. Terephthalic acid, di(3-methylbut-2-yl) ester. Terephthalic acid, isobutyl 3-methylbut-2-yl ester. 4-Fluorobenzoic acid, 8-chlorooctyl ester. Benzoic acid, 1-methylpropyl ester. Benzoic acid, 4-fluoro-, ethyl ester. Terephthalic acid, di(2-methylpent-3-yl) ester. Terephthalic acid, isobutyl 2-methylpent-3-yl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 3-methylbut-2-yl ester.

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