Chemical Properties of Ferulic acid ethyl ester (CAS 4046-02-0)

Ferulic acid ethyl ester

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InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
InChI Key
ATJVZXXHKSYELS-FNORWQNLSA-N
Formula
C12H14O4
SMILES
CCOC(=O)C=Cc1ccc(O)c(OC)c1
Molecular Weight1
222.24
CAS
4046-02-0
Other Names
  • Ferulic acid ethyl ester
  • ethyl 4'-hydroxy-3'-methoxycinnamate
Sources

Physical Properties

Property Value Unit Source
Δf -260.38 kJ/mol Joback Calculated Property
Δfgas -503.06 kJ/mol Joback Calculated Property
Δfus 30.45 kJ/mol Joback Calculated Property
Δvap 69.78 kJ/mol Joback Calculated Property
logPoct/wat 1.98 Crippen Calculated Property
Pc 3005.73 kPa Joback Calculated Property
Tboil 689.11 K Joback Calculated Property
Tc 911.47 K Joback Calculated Property
Tfus 464.97 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 449.01 J/mol×K 689.11 Joback Calculated Property
η 0.00 Pa×s 689.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
=CH- 2
>C=O (nonring) 1
-OH (phenol) 1

Similar Compounds

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester. Ethyl 3-(3,4-dimethoxyphenyl)acrylate. 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, cis. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, trans. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester. 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)-. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-. coniferyl ethyl ether. 2-Propenoic, 3-(3, 4, 5 trimethoxy phenyl) methylester. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis.

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