Chemical Properties of Propanoic acid, 2-methyl-, 3-phenylpropyl ester (CAS 103-58-2)

Propanoic acid, 2-methyl-, 3-phenylpropyl ester

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InChI
InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChI Key
VBTAKMZSMFMLGT-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CC(C)C(=O)OCCCc1ccccc1
Molecular Weight1
206.28
CAS
103-58-2
Other Names
  • 3-Phenylpropyl isobutyrate
  • Hydrocinnamyl isobutyrate
  • Isobutyric acid, 3-phenylpropyl ester
  • Phenylpropyl iso-butyrate
Sources

Physical Properties

Property Value Unit Source
Δf -65.37 kJ/mol Joback Calculated Property
Δfgas -325.20 kJ/mol Joback Calculated Property
Δfus 22.73 kJ/mol Joback Calculated Property
Δvap 55.58 kJ/mol Joback Calculated Property
logPoct/wat 2.82 Crippen Calculated Property
Pc 2309.17 kPa Joback Calculated Property
Tboil 599.37 K Joback Calculated Property
Tc 806.35 K Joback Calculated Property
Tfus 319.85 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.71 J/mol×K 599.37 Joback Calculated Property
η 0.00 Pa×s 599.37 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- 3
-CH3 2

Similar Compounds

Benzenepropanol, propanoate. Butanoic acid, 3-phenylpropyl ester. 3-Phenyl-1-propanol, acetate. Butanoic acid, 3-methyl-, 3-phenylpropyl ester. 2-Ethylbutyric acid, 3-phenylpropyl ester. Benzenepropanoic acid, 3-phenylpropyl ester. Pentanoic acid, 3-phenylpropyl ester. Glutaric acid, isobutyl 3-phenylpropyl ester. 3-Phenylpropanoic anhydride. Pimelic acid, isobutyl 3-phenylpropyl ester. Hexanoic acid, 3-phenylpropyl ester. Glutaric acid, ethyl 3-phenylpropyl ester. Glutaric acid, 3-phenylpropyl propyl ester. Glutaric acid, di(3-phenylpropyl) ester. Pimelic acid, 3-phenylpropyl propyl ester.

Find more compounds similar to Propanoic acid, 2-methyl-, 3-phenylpropyl ester.

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