Chemical Properties of Benzoic acid, 4-(1-methylethyl)-, methyl ester (CAS 20185-55-1)

Benzoic acid, 4-(1-methylethyl)-, methyl ester

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InChI
InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3
InChI Key
IPIVTJSCIHXKOE-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
COC(=O)c1ccc(C(C)C)cc1
Molecular Weight1
178.23
CAS
20185-55-1
Other Names
  • 4-Isopropylmethyl benzenecarboxylate
  • Benzoic acid, p-isopropyl-, methyl ester
  • Methyl 4-isopropylbenzoate
  • Methyl cumate
  • Methyl cuminate
  • Methyl p-isopropylbenzoate
  • methyl 4-(1-methylethyl)benzoate
Sources

Physical Properties

Property Value Unit Source
Δf -91.84 kJ/mol Joback Calculated Property
Δfgas -295.39 kJ/mol Joback Calculated Property
Δfus 17.16 kJ/mol Joback Calculated Property
Δvap 51.79 kJ/mol Joback Calculated Property
logPoct/wat 2.60 Crippen Calculated Property
Pc 2758.46 kPa Joback Calculated Property
Tboil 558.59 K Joback Calculated Property
Tc 773.47 K Joback Calculated Property
Tfus 309.83 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.51 J/mol×K 558.59 Joback Calculated Property
η 0.00 Pa×s 558.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Tert-butylbenzoic acid methyl ester. Benzoic acid, 4-ethyl-, methyl ester. Ethyl 4-t-butylbenzoate. Benzoic acid, 4-(1-methylethyl)-. 4-Ethylbenzoic acid, ethyl ester. Benzoic acid, 4-acetyl-, methyl ester. Benzoic acid, 4-tert-butyl-, propyl ester. 4-Isobutylbenzoic acid, methyl. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-butyl-, methyl ester. 2-Methoxyethyl 4-tert-butyl benzoate. Benzoic acid, 4-tert-butyl-, isobutyl ester. Benzoic acid, 4-tert-butyl-, butyl ester. 4-Ethylbenzoic acid. Benzoic acid, 4-methyl-, methyl ester.

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