Chemical Properties of 4-Fluorobenzoic acid, 2-methylpentyl ester

4-Fluorobenzoic acid, 2-methylpentyl ester

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InChI
InChI=1S/C13H17FO2/c1-3-4-10(2)9-16-13(15)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChI Key
CATGJDSHTUTNBU-UHFFFAOYSA-N
Formula
C13H17FO2
SMILES
CCCC(C)COC(=O)c1ccc(F)cc1
Molecular Weight1
224.27
Sources

Physical Properties

Property Value Unit Source
Δf -269.81 kJ/mol Joback Calculated Property
Δfgas -532.78 kJ/mol Joback Calculated Property
Δfus 25.42 kJ/mol Joback Calculated Property
Δvap 55.42 kJ/mol Joback Calculated Property
logPoct/wat 3.419 Crippen Calculated Property
Pc 2181.56 kPa Joback Calculated Property
Tboil 603.62 K Joback Calculated Property
Tc 802.32 K Joback Calculated Property
Tfus 332.96 K Joback Calculated Property
Vc 0.692 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 451.56 J/mol×K 603.62 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluorobenzoic acid, 8-chlorooctyl ester. 4-Fluorobenzoic acid, 3-methylbutyl ester. Benzoic acid, 2-methylpentyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-yl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. Benzoic acid, cyclohexylmethyl ester. Benzoic acid, 2-ethylhexyl ester. 2-Methylbutyl benzoate. 4-Methylbenzoic acid, 2-methylpentyl ester. Benzoic acid, 2-ethylbutyl ester. 3,4-Difluorobenzoic acid, 2-ethylhexyl ester. Benzoic acid, isohexyl ester. Benzoic acid, 4-fluoro-, ethyl ester. Benzoic acid, hexyl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 2-methylpentyl ester.

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