Chemical Properties of 3-Phenylpropionic acid, 2-methylbutyl ester

3-Phenylpropionic acid, 2-methylbutyl ester

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InChI
InChI=1S/C14H20O2/c1-3-12(2)11-16-14(15)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChI Key
VZQROVHKJNZZDN-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCC(C)COC(=O)CCc1ccccc1
Molecular Weight1
220.31
Other Names
  • 2-Methylbutyl 3-phenylpropanoate
  • 2-Methylbutyl-3-phenyl-propionate
Sources

Physical Properties

Property Value Unit Source
Δf -56.95 kJ/mol Joback Calculated Property
Δfgas -345.84 kJ/mol Joback Calculated Property
Δfus 25.32 kJ/mol Joback Calculated Property
Δvap 57.80 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2110.00 kPa Joback Calculated Property
Tboil 622.25 K Joback Calculated Property
Tc 826.14 K Joback Calculated Property
Tfus 331.12 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.55 J/mol×K 622.25 Joback Calculated Property
η 0.00 Pa×s 622.25 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- 4
-CH3 2

Similar Compounds

3-Phenylpropionic acid, 2-methylpentyl ester. 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. Benzenepropanoic acid, hexyl ester. Benzenepropanoic acid, pentyl ester. 3-Phenylpropionic acid, 3-methylbut-2-yl ester. Benzenepropanoic acid, 3-phenylpropyl ester. 3-Phenylpropionic acid, 8-chlorooctyl ester. Benzenepropanoic acid, ethyl ester. 3-Phenylpropanoic anhydride. Benzenepropanoic acid 1-methylethyl ester. Propanoic acid, 2-methyl-, 3-phenylpropyl ester. (Z)-Hex-3-enyl dihydrocinnamate. 3-Phenylpropanoic acid methyl ester. 2-Ethylbutyric acid, 3-phenylpropyl ester.

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