Chemical Properties of n-Butyl cinnamate (CAS 538-65-8)

n-Butyl cinnamate

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InChI
InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+
InChI Key
OHHIVLJVBNCSHV-MDZDMXLPSA-N
Formula
C13H16O2
SMILES
CCCCOC(=O)C=Cc1ccccc1
Molecular Weight1
204.26
CAS
538-65-8
Other Names
  • 2-Propenoic acid, 3-phenyl-, butyl ester
  • Butyl 3-phenyl-2-propenoate
  • Butyl cinnamate
  • Cinnamate de n-butyle
  • Cinnamic acid butyl ester
  • Cinnamic acid n-butyl ester
  • Eliminoxy
  • NSC 71966
  • n-Butyl phenylacrylate
Sources

Physical Properties

Property Value Unit Source
Δf 17.29 kJ/mol Joback Calculated Property
Δfgas -202.70 kJ/mol Joback Calculated Property
Δfus 26.46 kJ/mol Joback Calculated Property
Δvap 55.92 kJ/mol Joback Calculated Property
logPoct/wat 3.04 Crippen Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Tboil 603.97 K Joback Calculated Property
Tc 815.36 K Joback Calculated Property
Tfus 329.77 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 423.08 J/mol×K 603.97 Joback Calculated Property
η 0.00 Pa×s 603.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
=CH- 2
-CH3 1

Similar Compounds

2-Propenoic acid, 3-phenyl-, pentyl ester. trans-Amyl cinnamate. cis-Amyl cinnamate. Isoamyl cinnamate. n-Propyl cinnamate. 3-Methylbut-3-en-1-yl cinnamate. 2-Propenoic acid, 3-phenyl-, 2-methylbutyl ester. 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester. 2-Propenoic acid, 3-phenyl-, ethyl ester. 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-. (Z)-Ethyl cinnamate. cis-3-Hexenylcinnamate. cis-Allyl cinnamate. Allyl cinnamate. 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester.

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