Chemical Properties of 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester (CAS 3943-97-3)

2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester

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InChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
InChI Key
NITWSHWHQAQBAW-QPJJXVBHSA-N
Formula
C10H10O3
SMILES
COC(=O)C=Cc1ccc(O)cc1
Molecular Weight1
178.18
CAS
3943-97-3
Other Names
  • 4-Hydroxycinnamic acid methyl ester
  • Cinnamic acid, p-hydroxy-, methyl ester
  • Methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
  • Methyl 4-coumarate
  • Methyl 4-hydroxycinnamate
  • Methyl ester of p-hydroxycinnamic acid
  • Methyl p-coumarate
  • Methyl p-hydroxycinnamate
  • NSC 154578
  • p-Coumaric acid methyl ester
  • p-Hydroxycinnamic acid methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -162.59 kJ/mol Joback Calculated Property
Δfgas -318.09 kJ/mol Joback Calculated Property
Δfus 24.47 kJ/mol Joback Calculated Property
Δvap 62.26 kJ/mol Joback Calculated Property
logPoct/wat 1.58 Crippen Calculated Property
Pc 3906.25 kPa Joback Calculated Property
Tboil 615.95 K Joback Calculated Property
Tc 849.16 K Joback Calculated Property
Tfus 407.68 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 329.29 J/mol×K 615.95 Joback Calculated Property
η 0.00 Pa×s 615.95 Joback Calculated Property
ΔfusH 30.22 kJ/mol 410.7 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
=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. p-Coumaric acid. 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (E)-. 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester. Methyl p-methoxycinnamate, cis. (Z)-Ethyl 3-(4-methoxyphenyl)acrylate. (Z)-Ethyl-p-methoxycinnamate. trans-Ethyl p-methoxycinnamate. ethyl p-methoxy cinnamate. 2-Propenoic acid, 3-(4-methoxyphenyl)-. (Z)-p-Methoxy-cinnamic acid. 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-. 4-Methoxycinnamyl cinnamate. 2-Propenoic acid, 3-(3-hydroxyphenyl)-, methyl ester.

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