Chemical Properties of Benzoic acid, 3,4-dimethoxy-, methyl ester (CAS 2150-38-1)

Benzoic acid, 3,4-dimethoxy-, methyl ester

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InChI
InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3
InChI Key
BIGQPYZPEWAPBG-UHFFFAOYSA-N
Formula
C10H12O4
SMILES
COC(=O)c1ccc(OC)c(OC)c1
Molecular Weight1
196.20
CAS
2150-38-1
Other Names
  • 3,4-Dimethoxybenzoic acid methyl ester
  • Methyl 3,4-dimethoxybenzoate
  • Methyl ester of 3,4-Dimethoxybenzoic acid
  • Methyl veratrate
  • Veratric acid, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -317.45 kJ/mol Joback Calculated Property
Δfgas -545.38 kJ/mol Joback Calculated Property
Δfus 20.08 kJ/mol Joback Calculated Property
Δvap 55.43 kJ/mol Joback Calculated Property
logPoct/wat 1.49 Crippen Calculated Property
Pc 2875.03 kPa Joback Calculated Property
Tboil 556.20 K NIST
Tboil 573.20 K NIST
Tboil 403.70 K NIST
Tc 796.18 K Joback Calculated Property
Tfus 370.54 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 347.19 J/mol×K 585.97 Joback Calculated Property
η 0.00 Pa×s 585.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester. Methyl 3-methoxy-4-ethoxybenzoate. Benzoic acid, 3,4,5-trimethoxy-, methyl ester. Benzoic acid, 3,4-dimethoxy-. Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester. Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester. 3,4-Dimethoxybenzoic anhydride. 1,3-Benzodioxole-5-carboxylic acid, methyl ester. n-Butyl 3,4-dimethoxybenzoate. Benzoic acid, 4-hydroxy-3-methoxy-. Ethyl syringoate. 3-Hydroxy-4,5-dimethoxybenzoic acid. Benzoic acid, 4-(acetyloxy)-3-methoxy-, methyl ester. BENZOIC ACID, 3,4,5-TRIMETHOXY-. Vanillic acid, n-butyl ester.

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