Chemical Properties of 4-Butylbenzoic acid, ethyl ester (CAS 85100-62-5)

4-Butylbenzoic acid, ethyl ester

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InChI
InChI=1S/C13H18O2/c1-3-5-6-11-7-9-12(10-8-11)13(14)15-4-2/h7-10H,3-6H2,1-2H3
InChI Key
NKAVJELRFJVPEE-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCc1ccc(C(=O)OCC)cc1
Molecular Weight1
206.28
CAS
85100-62-5
Sources

Physical Properties

Property Value Unit Source
Δf -72.56 kJ/mol Joback Calculated Property
Δfgas -331.39 kJ/mol Joback Calculated Property
Δfus 25.86 kJ/mol Joback Calculated Property
Δvap 56.63 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2258.96 kPa Joback Calculated Property
Tboil 604.79 K Joback Calculated Property
Tc 808.65 K Joback Calculated Property
Tfus 347.37 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.04 J/mol×K 604.79 Joback Calculated Property
η 0.00 Pa×s 604.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-butyl-, methyl ester. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Ethylbenzoic acid, ethyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. 4-Butylbenzoic acid, pent-2-en-4-ynyl ester. 4-Butylbenzoic acid, pentyl ester. 4-Butylbenzoic acid, 3-methylbutyl ester. 4-Isobutylbenzoic acid, methyl. 4-Butylbenzoic acid, hexyl ester. 4-Butylbenzoic acid, 2,2,2-trichloroethyl ester. 4-Butylbenzoic acid, but-3-yn-2-yl ester. 4-Butylbenzoic acid, heptyl ester. 4-Butylbenzoic acid, octadecyl ester. 4-Butylbenzoic acid, tetradecyl ester. 4-Butylbenzoic acid, pentadecyl ester.

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