Chemical Properties of Benzoic acid, 4-methoxy-, 3-methylbutyl ester (CAS 27739-29-3)

Benzoic acid, 4-methoxy-, 3-methylbutyl ester

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InChI
InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChI Key
FVMBSMBXEVMMGH-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
COc1ccc(C(=O)OCCC(C)C)cc1
Molecular Weight1
222.28
CAS
27739-29-3
Other Names
  • 4-Methoxybenzoic acid, 3-methylbutyl ester
  • Benzoic acid, 4-methoxy-, 3-methylbutyl ester
  • Isoamyl anisate
  • Isopentyl 4-methoxybenzoate
  • isopentyl p-anisate
Sources

Physical Properties

Property Value Unit Source
Δf -180.00 kJ/mol Joback Calculated Property
Δfgas -468.89 kJ/mol Joback Calculated Property
Δfus 23.53 kJ/mol Joback Calculated Property
Δvap 58.65 kJ/mol Joback Calculated Property
logPoct/wat 2.898 Crippen Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Tboil 626.77 K Joback Calculated Property
Tc 832.59 K Joback Calculated Property
Tfus 354.60 K Joback Calculated Property
Vc 0.692 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 469.86 J/mol×K 626.77 Joback Calculated Property
η 0.0001222 Pa×s 626.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-methoxy-, butyl ester. Amyl anisate. p-Methoxybenzoic acid, hexyl ester. Benzoic acid, 4-methoxy-, propyl ester. Benzoic acid, 4-methoxy-, 2-methylbutyl ester. Benzoic acid, 4-methoxy-, heptyl ester. Benzoic acid, 4-methoxy-, pentadecyl ester. P-anisic acid, heptadecyl ester. Benzoic acid, 4-methoxy-, decyl ester. Benzoic acid, 4-methoxy-, undecyl ester. p-Methoxybenzoic acid, hexadecyl ester. p-Methoxybenzoic acid, tetradecyl ester. P-methoxybenzoic acid, tridecyl ester. P-methoxybenzoic acid, octadecyl ester. p-Methoxybenzoic acid, octyl ester.

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