Chemical Properties of 4-Isobutylbenzoic acid, methyl

4-Isobutylbenzoic acid, methyl

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InChI
InChI=1S/C12H16O2/c1-9(2)8-10-4-6-11(7-5-10)12(13)14-3/h4-7,9H,8H2,1-3H3
InChI Key
RKGMWMARQCXWPC-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
COC(=O)c1ccc(CC(C)C)cc1
Molecular Weight1
192.25
Sources

Physical Properties

Property Value Unit Source
Δf -83.42 kJ/mol Joback Calculated Property
Δfgas -316.03 kJ/mol Joback Calculated Property
Δfus 19.75 kJ/mol Joback Calculated Property
Δvap 54.01 kJ/mol Joback Calculated Property
logPoct/wat 2.67 Crippen Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Tboil 581.47 K Joback Calculated Property
Tc 792.78 K Joback Calculated Property
Tfus 321.10 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.16 J/mol×K 581.47 Joback Calculated Property
η 0.00 Pa×s 581.47 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-butyl-, methyl ester. Benzoic acid, 4-ethyl-, methyl ester. 4-Butylbenzoic acid, ethyl ester. 4-N-propylbenzoic acid. Benzoic acid, 4-(1-methylethyl)-, methyl ester. 4-Ethylbenzoic acid, ethyl ester. 4-Tert-butylbenzoic acid methyl ester. 4-Butylbenzoic acid. Benzoic acid, 4-acetyl-, methyl ester. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. Benzoic acid, 4-pentyl-. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. Ethyl 4-t-butylbenzoate. 4-Butylbenzoic acid, 3-methylbutyl ester. 4-Butylbenzoic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 4-Isobutylbenzoic acid, methyl.

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