Chemical Properties of Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester (CAS 140-27-2)

Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester

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InChI
InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
InChI Key
FOCMOGKCPPTERB-RMKNXTFCSA-N
Formula
C14H18O2
SMILES
CC(C)CC(=O)OCC=Cc1ccccc1
Molecular Weight1
218.29
CAS
140-27-2
Other Names
  • 3-Phenylallyl isovalerate
  • Cinnamyl isovalerate
  • Isovaleric acid, cinnamyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 23.27 kJ/mol Joback Calculated Property
Δfgas -228.62 kJ/mol Joback Calculated Property
Δfus 25.52 kJ/mol Joback Calculated Property
Δvap 57.76 kJ/mol Joback Calculated Property
logPoct/wat 3.29 Crippen Calculated Property
Pc 2214.53 kPa Joback Calculated Property
Tboil 626.41 K Joback Calculated Property
Tc 838.56 K Joback Calculated Property
Tfus 326.04 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 473.76 J/mol×K 626.41 Joback Calculated Property
η 0.00 Pa×s 626.41 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester.

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