Chemical Properties of 4-Butylbenzoic acid (CAS 20651-71-2)

4-Butylbenzoic acid

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InChI
InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
InChI Key
JFKUBRAOUZEZSL-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCCCc1ccc(C(=O)O)cc1
Molecular Weight1
178.23
CAS
20651-71-2
Other Names
  • Benzoic acid, 4-butyl-
  • p-n-Butylbenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -121.22 kJ/mol Joback Calculated Property
Δfgas -310.12 kJ/mol Joback Calculated Property
Δfus 23.58 kJ/mol Joback Calculated Property
Δsub 110.50 ± 0.70 kJ/mol NIST
Δvap 66.44 kJ/mol Joback Calculated Property
logPoct/wat 2.73 Crippen Calculated Property
Pc 3076.16 kPa Joback Calculated Property
Tboil 628.79 K Joback Calculated Property
Tc 827.28 K Joback Calculated Property
Tfus 377.00 ± 1.00 K NIST
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 374.63 J/mol×K 628.79 Joback Calculated Property
η 0.00 Pa×s 628.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-pentyl-. 4-N-propylbenzoic acid. 4-Heptylbenzoic acid. Benzoic acid, 4-butyl-, methyl ester. 4-Ethylbenzoic acid. 4-Butylbenzoic acid, ethyl ester. 4-Isobutylbenzoic acid, methyl. Benzoic acid, 4-(1-methylethyl)-. 4'-(2-Bromoethyl)benzoic acid. P-cyclohexylbenzoic acid. 4-Acetylbenzoic acid. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-ethyl-, methyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester.

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