Chemical Properties of 3-Acetoxycinnamic acid (CAS 20375-42-2)

3-Acetoxycinnamic acid

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InChI
InChI=1S/C11H10O4/c1-8(12)15-10-4-2-3-9(7-10)5-6-11(13)14/h2-7H,1H3,(H,13,14)/b6-5+
InChI Key
LSZKRNUEKNCZIE-AATRIKPKSA-N
Formula
C11H10O4
SMILES
CC(=O)Oc1cccc(C=CC(=O)O)c1
Molecular Weight1
206.19
CAS
20375-42-2
Other Names
  • m-Acetyl coumaric acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5062.51 kJ/mol NIST
Δf -274.92 kJ/mol Joback Calculated Property
Δfgas -437.70 kJ/mol Joback Calculated Property
Δfus 26.57 kJ/mol Joback Calculated Property
Δvap 75.56 kJ/mol Joback Calculated Property
logPoct/wat 1.71 Crippen Calculated Property
Pc 3439.94 kPa Joback Calculated Property
Tboil 709.24 K Joback Calculated Property
Tc 920.04 K Joback Calculated Property
Tfus 430.50 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 387.59 J/mol×K 709.24 Joback Calculated Property
η 0.00 Pa×s 709.24 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

trans-m-methoxycinnamic acid. 3,5-Dimethoxycinnamic acid. trans-Ferulic acid. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. 4-Acetoxycinnamic acid. 3-Methoxycinnamaldehyde. 3-(Trifluoromethoxy)cinnamic acid. (Z)-3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-. Cinnamic acid, m-methoxy-, trimethylsilyl ester. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester. 4-(2-formylvinyl)-2-methoxyphenyl acetate. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, trans.

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