Chemical Properties of Pentanoic acid, 3-phenyl-2-propenyl ester (CAS 10482-65-2)

Pentanoic acid, 3-phenyl-2-propenyl ester

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InChI
InChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+
InChI Key
FLSKWIBFXUNBAW-JXMROGBWSA-N
Formula
C14H18O2
SMILES
CCCCC(=O)OCC=Cc1ccccc1
Molecular Weight1
218.29
CAS
10482-65-2
Other Names
  • 3-Phenyl-2-propenyl pentanoate
  • Cinnamyl N-valerate
  • Cinnamyl valerate
  • Valeric acid, cinnamyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 25.71 kJ/mol Joback Calculated Property
Δfgas -223.34 kJ/mol Joback Calculated Property
Δfus 29.05 kJ/mol Joback Calculated Property
Δvap 58.15 kJ/mol Joback Calculated Property
logPoct/wat 3.43 Crippen Calculated Property
Pc 2197.95 kPa Joback Calculated Property
Tboil 626.85 K Joback Calculated Property
Tc 834.90 K Joback Calculated Property
Tfus 341.04 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 473.32 J/mol×K 626.85 Joback Calculated Property
η 0.00 Pa×s 626.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 4
=CH- 2
-CH3 1

Similar Compounds

Cinnamyl hexanoate. Cinnamyl heptanoate. Butanoic acid, 3-phenyl-2-propenyl ester. Sebacic acid, 3-phenylallyl propyl ester. Glutaric acid, pentyl 3-phenylprop-2-enyl ester. Sebacic acid, butyl 3-phenylallyl ester. Sebacic acid, octyl 3-phenylallyl ester. Sebacic acid, decyl 3-phenylallyl ester. Sebacic acid, heptyl 3-phenylallyl ester. Sebacic acid, nonyl 3-phenylallyl ester. Sebacic acid, pentyl 3-phenylallyl ester. Sebacic acid, hexyl 3-phenylallyl ester. Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester. Glutaric acid, hexyl 3-phenylprop-2-enyl ester. Sebacic acid, isobutyl 3-phenylallyl ester.

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