Chemical Properties of Butanoic acid, 3-phenyl-2-propenyl ester (CAS 103-61-7)

Butanoic acid, 3-phenyl-2-propenyl ester

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InChI
InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+
InChI Key
YZYPQKZWNXANRB-UXBLZVDNSA-N
Formula
C13H16O2
SMILES
CCCC(=O)OCC=Cc1ccccc1
Molecular Weight1
204.26
CAS
103-61-7
Other Names
  • Butynoic acid, 3-phenyl-2-propenyl ester
  • Butyric acid, cinnamyl ester
  • Cinnamyl butyrate
  • Cinnamyl n-butyrate
  • Phenylpropenyl n-butyrate
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

Pentanoic acid, 3-phenyl-2-propenyl ester. Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester. 2-Propen-1-ol, 3-phenyl-, propanoate. Succinic acid, di(3-phenylprop-2-en-1-yl) ester. Cinnamyl hexanoate. Cinnamyl heptanoate. Sebacic acid, 3-phenylallyl propyl ester. Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester. Glutaric acid, pentyl 3-phenylprop-2-enyl ester. Sebacic acid, butyl 3-phenylallyl ester. Sebacic acid, octyl 3-phenylallyl ester. Sebacic acid, pentyl 3-phenylallyl ester. Sebacic acid, decyl 3-phenylallyl ester. Sebacic acid, hexyl 3-phenylallyl ester. Sebacic acid, heptyl 3-phenylallyl ester.

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