Chemical Properties of p-Coumaric acid (CAS 7400-08-0)

p-Coumaric acid

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InChI
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChI Key
NGSWKAQJJWESNS-ZZXKWVIFSA-N
Formula
C9H8O3
SMILES
O=C(O)C=Cc1ccc(O)cc1
Molecular Weight1
164.16
CAS
7400-08-0
Other Names
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-
  • 3-(4-Hydroxyphenyl)-2-propenoic acid
  • 4'-Hydroxycinnamic acid
  • 4-Coumaric acid
  • 4-Hydroxycinnamic acid
  • Cinnamic acid, p-hydroxy-
  • NSC 59260
  • p-Cumaric acid
  • p-Hydroxycinnamic acid
  • p-Hydroxyphenylacrylic acid
  • para-Coumaric acid
  • «beta»-(4-Hydroxyphenyl)acrylic acid
Sources

Physical Properties

Property Value Unit Source
Δf -202.83 kJ/mol Joback Calculated Property
Δfgas -317.46 kJ/mol Joback Calculated Property
Δfus 24.78 kJ/mol Joback Calculated Property
Δvap 74.30 kJ/mol Joback Calculated Property
logPoct/wat 1.490 Crippen Calculated Property
Pc 5138.68 kPa Joback Calculated Property
Tboil 662.83 K Joback Calculated Property
Tc 884.22 K Joback Calculated Property
Tfus 489.00 ± 5.00 K NIST
Tfus 486.90 ± 3.00 K NIST
Tfus 475.00 ± 5.00 K NIST
Vc 0.403 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 302.19 J/mol×K 662.83 Joback Calculated Property
η 0.0000077 Pa×s 662.83 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-. p-Coumaric acid, trans. 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester. 2-Propenoic acid, 3-(4-methoxyphenyl)-. (Z)-p-Methoxy-cinnamic acid. 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-. 4-Ethoxycinnamic acid. 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester. 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (E)-. Methyl p-methoxycinnamate, cis. 2-Propenoic acid, 3-(3-hydroxyphenyl)-. 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-. P-(2-hydroxyethoxy) cinnamic acid. Phenol, 4-(1-propenyl). Isochavicol.

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