Chemical Properties of Benzyl (E)-ferulate (CAS 132335-97-8)

Benzyl (E)-ferulate

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InChI
InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
InChI Key
DZAPHTCUSDTZAT-CSKARUKUSA-N
Formula
C17H16O4
SMILES
COc1cc(C=CC(=O)OCc2ccccc2)ccc1O
Molecular Weight1
284.31
CAS
132335-97-8
Sources

Physical Properties

Property Value Unit Source
Δf -105.87 kJ/mol Joback Calculated Property
Δfgas -369.73 kJ/mol Joback Calculated Property
Δfus 37.44 kJ/mol Joback Calculated Property
Δvap 83.19 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Tboil 830.19 K Joback Calculated Property
Tc 1071.69 K Joback Calculated Property
Tfus 547.74 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 622.82 J/mol×K 830.19 Joback Calculated Property
η 0.00 Pa×s 830.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 8
=C< (ring) 4
-CH2- 1
=CH- 2
-CH3 1
-OH (phenol) 1

Similar Compounds

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

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