Chemical Properties of 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester (CAS 2309-07-1)

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester

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InChI
InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
InChI Key
AUJXJFHANFIVKH-GQCTYLIASA-N
Formula
C11H12O4
SMILES
COC(=O)C=Cc1ccc(O)c(OC)c1
Molecular Weight1
208.21
CAS
2309-07-1
Other Names
  • Cinnamic acid, 4-hydroxy-3-methoxy-, methyl ester
  • Ferulic acid methyl ester
  • Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
  • Methyl 4'-hydroxy-3'-methoxycinnamate (methyl ferulate)
  • Methyl ferulate
Sources

Physical Properties

Property Value Unit Source
Δf -268.80 kJ/mol Joback Calculated Property
Δfgas -482.42 kJ/mol Joback Calculated Property
Δfus 27.86 kJ/mol Joback Calculated Property
Δvap 67.56 kJ/mol Joback Calculated Property
logPoct/wat 1.59 Crippen Calculated Property
Pc 3348.98 kPa Joback Calculated Property
Tboil 666.23 K Joback Calculated Property
Tc 892.63 K Joback Calculated Property
Tfus 453.70 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.15 J/mol×K 666.23 Joback Calculated Property
η 0.00 Pa×s 666.23 Joback Calculated Property
ΔfusH 25.84 kJ/mol 335.7 NIST

Molecular Descriptors

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

Similar Compounds

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

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