Chemical Properties of 3-(3,4,5-Trimethoxyphenyl)propionic acid (CAS 25173-72-2)

3-(3,4,5-Trimethoxyphenyl)propionic acid

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InChI
InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChI Key
ZCYXGVJUZBKJAI-UHFFFAOYSA-N
Formula
C12H16O5
SMILES
COc1cc(CCC(=O)O)cc(OC)c1OC
Molecular Weight1
240.25
CAS
25173-72-2
Other Names
  • 3,4,5-Trimethoxyphenylpropionic acid
  • 3,4,5-trimethoxyhydrocinnamic acid
  • 3-(3,4,5-Trimethoxyphenyl)propanoic acid
  • Benzenepropanoic acid, 3,4,5-trimethoxy-
  • «beta»-(3,4,5-Trimethoxy phenyl)propionic acid
Sources

Physical Properties

Property Value Unit Source
Δf -447.06 kJ/mol Joback Calculated Property
Δfgas -750.36 kJ/mol Joback Calculated Property
Δfus 28.96 kJ/mol Joback Calculated Property
Δvap 77.22 kJ/mol Joback Calculated Property
logPoct/wat 1.73 Crippen Calculated Property
Pc 2550.76 kPa Joback Calculated Property
Tboil 728.89 K Joback Calculated Property
Tc 923.64 K Joback Calculated Property
Tfus 466.42 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 497.77 J/mol×K 728.89 Joback Calculated Property
η 0.00 Pa×s 728.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester. 1-Propanol, 3-(3,4,5-trimethoxyphenyl). 5-(3-Hydroxypropyl)-2,3-dimethoxyphenol. 3-(3,4-Dimethoxyphenyl)-propionic acid. Propanal, 3-(4-hydroxy-3,5-dimethoxyphenyl). 1,2,6-trimethoxy-4-propylbenzene. Dihydrosinapyl alcohol. Benzenepropanoic acid, 3,4-dimethoxy-, methyl ester. «beta»-(4-Hydroxy-3-methoxyphenyl)propionic acid. 4-Propylsyringol. Benzenepropanoic acid, 4-hydroxy-3-methoxy, methyl ester. 3-(3,4-Dimethoxyphenyl)-1-propanol. .BETA.(3,4-methylenedioxyphenyl)propionic acid. Ethyl-.beta.-(4-hydroxy-3-methoxy-phenyl)-propionate. Benzenethanamine, 3,4,5-trimethoxy-«alpha»-methyl-(.+/-.)-.

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