Chemical Properties of Benzoic acid, 4-methoxy-, 2-methylpropyl ester (CAS 27739-28-2)

Benzoic acid, 4-methoxy-, 2-methylpropyl ester

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InChI
InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
InChI Key
HQYSDZUOGBUYJA-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
COc1ccc(C(=O)OCC(C)C)cc1
Molecular Weight1
208.25
CAS
27739-28-2
Other Names
  • 4-Methoxybenzoic acid, 2-methylpropyl ester
  • Isobutyl 4-methoxybenzoate
  • iso-Butyl anisate
  • isobutyl p-anisate
Sources

Physical Properties

Property Value Unit Source
Δf -188.42 kJ/mol Joback Calculated Property
Δfgas -448.25 kJ/mol Joback Calculated Property
Δfus 20.94 kJ/mol Joback Calculated Property
Δvap 56.42 kJ/mol Joback Calculated Property
logPoct/wat 2.508 Crippen Calculated Property
Pc 2458.04 kPa Joback Calculated Property
Tboil 603.89 K Joback Calculated Property
Tc 812.91 K Joback Calculated Property
Tfus 343.33 K Joback Calculated Property
Vc 0.635 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.73 J/mol×K 603.89 Joback Calculated Property
η 0.0001352 Pa×s 603.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-methoxy-, propyl ester. Benzoic acid, 4-methoxy-, 2-methylbutyl ester. Benzoic acid, 4-methoxy-, butyl ester. Benzoic acid, 4-(2-methylpropyl)oxy-, 2-methylpropyl ester. Benzoic acid, 4-methoxy-, 3-methylbutyl ester. Amyl anisate. Isobutyl 4-hydroxybenzoate. p-Methoxybenzoic acid, hexyl ester. Benzoic acid, 4-propyloxy-, propyl ester. Benzoic acid, 4-methoxy-, ethyl ester. Benzoic acid, 4-methoxy-, heptyl ester. Benzoic acid, 4-methoxy-, decyl ester. p-Methoxybenzoic acid, octyl ester. p-Methoxybenzoic acid, tetradecyl ester. Benzoic acid, 4-methoxy-, pentadecyl ester.

Find more compounds similar to Benzoic acid, 4-methoxy-, 2-methylpropyl ester.

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