Chemical Properties of 3,5-Dimethoxycinnamic acid (CAS 16909-11-8)

3,5-Dimethoxycinnamic acid

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InChI
InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b4-3+
InChI Key
VLSRUFWCGBMYDJ-ONEGZZNKSA-N
Formula
C11H12O4
SMILES
COc1cc(C=CC(=O)O)cc(OC)c1
Molecular Weight1
208.21
CAS
16909-11-8
Other Names
  • 2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-
  • 3',5'-dimethoxycinnamic acid
  • 3,5-Dimethoxycinnamic acid, predominantly trans
  • Cinnamic acid, 3,5-dimethoxy-
  • trans-3,5-dimethoxycinnamic acid
Sources

Physical Properties

Property Value Unit Source
Δf -260.63 kJ/mol Joback Calculated Property
Δfgas -468.81 kJ/mol Joback Calculated Property
Δfus 25.77 kJ/mol Joback Calculated Property
Δsub 141.40 ± 0.50 kJ/mol NIST
Δvap 71.88 kJ/mol Joback Calculated Property
logPoct/wat 1.80 Crippen Calculated Property
Pc 3086.42 kPa Joback Calculated Property
Tboil 682.77 K Joback Calculated Property
Tc 886.19 K Joback Calculated Property
Tfus 415.32 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.37 J/mol×K 682.77 Joback Calculated Property
η 0.00 Pa×s 682.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

trans-m-methoxycinnamic acid. 3,5-Dimethoxycinnamic acid, trimethylsilyl ester. Cinnamic acid, 4-hydroxy-3,5-dimethoxy-. 3-Methoxycinnamaldehyde. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. trans-Ferulic acid. Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate). (Z)-3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-. 3-(Trifluoromethoxy)cinnamic acid. Cinnamic acid, m-methoxy-, trimethylsilyl ester. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester. 3-Acetoxycinnamic acid. 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-al (sinapaldehyde).

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