Chemical Properties of Cinnamic acid, 3,4-dihydroxy- (CAS 331-39-5)

Cinnamic acid, 3,4-dihydroxy-

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InChI
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChI Key
QAIPRVGONGVQAS-DUXPYHPUSA-N
Formula
C9H8O4
SMILES
O=C(O)C=Cc1ccc(O)c(O)c1
Molecular Weight1
180.16
CAS
331-39-5
Other Names
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
  • 3,4-Dihydroxybenzeneacrylic acid
  • 3,4-Dihydroxycinnamic acid
  • 3,4-Dihydroxycinnamic acid (caffeic acid)
  • 3-(3,4-Dihydroxyphenyl)-2-propenoic acid
  • 3-(3,4-Dihydroxyphenyl)propenoic acid
  • 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
  • 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
  • Cinnamic acid, 3,4-dihydroxy-
  • NSC 57197
Sources

Physical Properties

Property Value Unit Source
Δf -357.45 kJ/mol Joback Calculated Property
Δfgas -494.77 kJ/mol Joback Calculated Property
Δfus 30.56 kJ/mol Joback Calculated Property
Δvap 87.31 kJ/mol Joback Calculated Property
logPoct/wat 1.20 Crippen Calculated Property
Pc 6441.16 kPa Joback Calculated Property
Tboil 743.45 K Joback Calculated Property
Tc 972.70 K Joback Calculated Property
Tfus 546.72 K Joback Calculated Property
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 338.64 J/mol×K 743.45 Joback Calculated Property
η 0.00 Pa×s 743.45 Joback Calculated Property
ΔsubH 170.20 ± 4.60 kJ/mol 416.5 NIST

Molecular Descriptors

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

Similar Compounds

ethyl caffeate. 3-Hydroxy-4-methoxycinnamic acid. 2-Propenoic acid, 3-(3-hydroxyphenyl)-. 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-. trans-Ferulic acid. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. 3,4-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-. (Z)-3,4-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(3-hydroxyphenyl)-, methyl ester. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester. 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-. p-Coumaric acid. p-Coumaric acid, trans. Ferulic acid ethyl ester.

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