Chemical Properties of 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)- (CAS 120601-69-6)

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

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InChI
InChI=1S/C13H16O6/c1-18-12-6-9(2-4-11(12)16)3-5-13(17)19-8-10(15)7-14/h2-6,10,14-16H,7-8H2,1H3/b5-3+
InChI Key
QXRAHTFDPBQKIM-HWKANZROSA-N
Formula
C13H16O6
SMILES
COc1cc(C=CC(=O)OCC(O)CO)ccc1O
Molecular Weight1
268.26
CAS
120601-69-6
Other Names
  • Glyceryl ferulate
Sources

Physical Properties

Property Value Unit Source
Δf -528.04 kJ/mol Joback Calculated Property
Δfgas -833.44 kJ/mol Joback Calculated Property
Δfus 37.69 kJ/mol Joback Calculated Property
Δvap 104.98 kJ/mol Joback Calculated Property
logPoct/wat 0.31 Crippen Calculated Property
Pc 3348.98 kPa Joback Calculated Property
Tboil 895.91 K Joback Calculated Property
Tc 1104.89 K Joback Calculated Property
Tfus 582.88 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 596.68 J/mol×K 895.91 Joback Calculated Property
η 0.00 Pa×s 895.91 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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