Chemical Properties of 4-Methylbenzoic acid, 3-methylbut-2-yl ester (CAS 212261-12-6)

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

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InChI
InChI=1S/C13H18O2/c1-9(2)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3
InChI Key
UWWVEOGQBMAWBE-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
Cc1ccc(C(=O)OC(C)C(C)C)cc1
Molecular Weight1
206.28
CAS
212261-12-6
Other Names
  • 4-Methylbenzoic acid, 3-methylbut-2-yl ester
Sources

Physical Properties

Property Value Unit Source
Δf -77.44 kJ/mol Joback Calculated Property
Δfgas -341.95 kJ/mol Joback Calculated Property
Δfus 18.82 kJ/mol Joback Calculated Property
Δvap 55.85 kJ/mol Joback Calculated Property
logPoct/wat 3.196 Crippen Calculated Property
Pc 2293.71 kPa Joback Calculated Property
Tboil 603.91 K Joback Calculated Property
Tc 816.07 K Joback Calculated Property
Tfus 317.37 K Joback Calculated Property
Vc 0.667 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.86 J/mol×K 603.91 Joback Calculated Property
η 0.0001435 Pa×s 603.91 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Terephthalic acid, isobutyl 3-methylbut-2-yl ester. Terephthalic acid, di(3-methylbut-2-yl) ester. Terephthalic acid, isobutyl 2-methylpent-3-yl ester. Terephthalic acid, ethyl 2-methylpent-3-yl ester. Terephthalic acid, di(2-methylpent-3-yl) ester. Benzoic acid, 1,2-dimethylpropyl ester. Terephthalic acid, 3-methylbut-2-yl pentyl ester. Terephthalic acid, hexyl 3-methylbut-2-yl ester. Terephthalic acid, butyl 2-methylpent-3-yl ester. Terephthalic acid, heptyl 3-methylbut-2-yl ester. Terephthalic acid, 3-methylbut-2-yl octyl ester. Terephthalic acid, dodecyl 3-methylbut-2-yl ester. Terephthalic acid, 3-methylbut-2-yl nonyl ester. Terephthalic acid, 3-methylbut-2-yl tetradecyl ester. Terephthalic acid, 3-methylbut-2-yl pentadecyl ester.

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