Chemical Properties of Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester (CAS 3943-74-6)

Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester

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InChI
InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
InChI Key
BVWTXUYLKBHMOX-UHFFFAOYSA-N
Formula
C9H10O4
SMILES
COC(=O)c1ccc(O)c(OC)c1
Molecular Weight1
182.17
CAS
3943-74-6
Other Names
  • 4-Hydroxy-3-methoxybenzoic acid methyl ester
  • 4-Hydroxy-3-methoxybenzoic acid methyl ester (methyl vanillate)
  • Methyl 3-methoxy-4-hydroxybenzoate
  • Methyl 4-hydroxy-3-methoxybenzoate
  • Methyl ester of 4-hydroxy-3-methoxybenzoic acid
  • Methyl vanillate
  • Vanillic acid methyl
  • Vanillic acid, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -365.86 kJ/mol Joback Calculated Property
Δfgas -558.36 kJ/mol Joback Calculated Property
Δfus 22.48 kJ/mol Joback Calculated Property
Δvap 63.15 kJ/mol Joback Calculated Property
logPoct/wat 1.19 Crippen Calculated Property
Pc 3965.51 kPa Joback Calculated Property
Tboil 559.20 K NIST
Tc 841.94 K Joback Calculated Property
Tfus 436.24 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 325.39 J/mol×K 616.31 Joback Calculated Property
η 0.00 Pa×s 616.31 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3,4-dimethoxy-, methyl ester. Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester. Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester. Methyl 3-methoxy-4-ethoxybenzoate. Benzoic acid, 4-hydroxy-3-methoxy-. Benzoic acid, 3,4,5-trimethoxy-, methyl ester. Ethyl syringoate. 1,3-Benzodioxole-5-carboxylic acid, methyl ester. Vanillic acid, n-butyl ester. Benzoic acid, 3,4-dimethoxy-. 3,4-Dimethoxybenzoic anhydride. Benzoic acid, 3,4-dihydroxy-, methyl ester. Benzoic acid, 4-hydroxy-3,5-dimethoxy-. Vanillic acid, heptyl ester. n-Butyl 3,4-dimethoxybenzoate.

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