Chemical Properties of 2,3,4-Trimethoxyphenylacetic acid (CAS 22480-91-7)

2,3,4-Trimethoxyphenylacetic acid

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InChI
InChI=1S/C11H14O5/c1-14-8-5-4-7(6-9(12)13)10(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
InChI Key
ZMWCKCLDAQWIDA-UHFFFAOYSA-N
Formula
C11H14O5
SMILES
COc1ccc(CC(=O)O)c(OC)c1OC
Molecular Weight1
226.23
CAS
22480-91-7
Other Names
  • Benzeneacetic acid, 2,3,4-trimethoxy-
Sources

Physical Properties

Property Value Unit Source
Δf -455.48 kJ/mol Joback Calculated Property
Δfgas -729.72 kJ/mol Joback Calculated Property
Δfus 26.37 kJ/mol Joback Calculated Property
Δvap 75.00 kJ/mol Joback Calculated Property
logPoct/wat 1.34 Crippen Calculated Property
Pc 2817.33 kPa Joback Calculated Property
Tboil 706.01 K Joback Calculated Property
Tc 902.24 K Joback Calculated Property
Tfus 455.15 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 445.85 J/mol×K 706.01 Joback Calculated Property
η 0.00 Pa×s 706.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

o-Homoveratric acid. 3,4,5-Trimethoxyphenylacetic acid. 2,3,4-Trimethoxyphenylacetonitrile. Benzene, 1,2,3,4-tetramethoxy-5-(2-propenyl)-. 1-(2,4,5-Trimethoxyphenyl)propan-2-one. 3,5-Dimethoxy-4-hydroxyphenylacetic acid. 2',3',4' Trimethoxyacetophenone. Apiol. Benzeneacetic acid, 2,5-dimethoxy-. 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-. nothoapiole. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated. Homogentisic acid, dimethyl ether, methyl ester. 2,3,4,6-tetramethoxy-acetophenone. 2-hydroxyl-tetramethoxy-acetophenone.

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