Chemical Properties of 2,3,4-Trimethoxycinnamic acid (CAS 33130-03-9)

2,3,4-Trimethoxycinnamic acid

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InChI
InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
InChI Key
ZYOPDNLIHHFGEC-FNORWQNLSA-N
Formula
C12H14O5
SMILES
COc1ccc(C=CC(=O)O)c(OC)c1OC
Molecular Weight1
238.24
CAS
33130-03-9
Other Names
  • 2-Propenoic acid, 3-(2,3,4-trimethoxyphenyl)-
  • trans-2,3,4-trimethoxycinnamic acid
Sources

Physical Properties

Property Value Unit Source
Δf -366.84 kJ/mol Joback Calculated Property
Δfgas -633.14 kJ/mol Joback Calculated Property
Δfus 29.16 kJ/mol Joback Calculated Property
Δvap 77.18 kJ/mol Joback Calculated Property
logPoct/wat 1.81 Crippen Calculated Property
Pc 2690.21 kPa Joback Calculated Property
Tboil 733.05 K Joback Calculated Property
Tc 933.80 K Joback Calculated Property
Tfus 461.34 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 473.43 J/mol×K 733.05 Joback Calculated Property
η 0.00 Pa×s 733.05 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
=CH- 2
-CH3 3

Similar Compounds

Benzene-1,2,3,4-tetramethoxy-5-(propenyl). 2,3-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (E)-. E-Isocroweacin. Trimethoxycinnamaldehyde. Cinnamic acid, 2-hydroxy-3-methoxy-. (E)-Azarone. «beta»-Asarone. Asarone. (Z)-1-(2',4',5'-Trimethoxyphenyl)butadiene. 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester. 2-Propenoic, 3-(3, 4, 5 trimethoxy phenyl) methylester. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis. Cinnamic acid, 4-hydroxy-3,5-dimethoxy-. 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-.

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