Chemical Properties of Benzoic acid, 4-methoxy-, butyl ester (CAS 6946-35-6)

Benzoic acid, 4-methoxy-, butyl ester

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InChI
InChI=1S/C12H16O3/c1-3-4-9-15-12(13)10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChI Key
DXKMHDQQRQRYCI-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CCCCOC(=O)c1ccc(OC)cc1
Molecular Weight1
208.25
CAS
6946-35-6
Other Names
  • Butyl 4-methoxybenzoate
  • n-Butyl anisate
Sources

Physical Properties

Property Value Unit Source
Δf -185.98 kJ/mol Joback Calculated Property
Δfgas -442.97 kJ/mol Joback Calculated Property
Δfus 24.46 kJ/mol Joback Calculated Property
Δvap 56.81 kJ/mol Joback Calculated Property
logPoct/wat 2.65 Crippen Calculated Property
Pc 2438.65 kPa Joback Calculated Property
Tboil 604.33 K Joback Calculated Property
Tc 809.23 K Joback Calculated Property
Tfus 358.33 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.31 J/mol×K 604.33 Joback Calculated Property
η 0.00 Pa×s 604.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Amyl anisate. Benzoic acid, 4-methoxy-, 3-methylbutyl ester. Benzoic acid, 4-methoxy-, propyl ester. p-Methoxybenzoic acid, hexyl ester. Benzoic acid, 4-methoxy-, heptyl ester. p-Methoxybenzoic acid, tetradecyl ester. p-Methoxybenzoic acid, octyl ester. P-methoxybenzoic acid, tridecyl ester. P-methoxybenzoic acid, octadecyl ester. Benzoic acid, 4-methoxy-, nonyl ester. P-anisic acid, heptadecyl ester. Benzoic acid, 4-methoxy-, pentadecyl ester. p-Methoxybenzoic acid, hexadecyl ester. Benzoic acid, 4-methoxy-, undecyl ester. Benzoic acid, 4-methoxy-, decyl ester.

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