Chemical Properties of 3-Phenylpropionic acid, 3-methylbut-2-yl ester

3-Phenylpropionic acid, 3-methylbut-2-yl ester

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InChI
InChI=1S/C14H20O2/c1-11(2)12(3)16-14(15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChI Key
TVFXOSYAUARACE-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CC(C)C(C)OC(=O)CCc1ccccc1
Molecular Weight1
220.31
Sources

Physical Properties

Property Value Unit Source
Δf -59.39 kJ/mol Joback Calculated Property
Δfgas -351.12 kJ/mol Joback Calculated Property
Δfus 21.80 kJ/mol Joback Calculated Property
Δvap 57.41 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2125.60 kPa Joback Calculated Property
Tboil 621.81 K Joback Calculated Property
Tc 829.67 K Joback Calculated Property
Tfus 316.12 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.97 J/mol×K 621.81 Joback Calculated Property
η 0.00 Pa×s 621.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
-CH3 3

Similar Compounds

3-Phenylpropionic acid, 2-methylbutyl ester. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. 3-Phenylpropionic acid, 2-methylpentyl ester. 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester. Benzenepropanoic acid, 3-phenylpropyl ester. Benzenepropanoic acid, pentyl ester. Benzenepropanoic acid, hexyl ester. Succinic acid, 3-methylbut-2-yl 3-phenylpropyl ester. Glutaric acid, 3-methylbut-2-yl 3-phenylpropyl ester. 3-Phenylpropanoic anhydride. Benzenepropanoic acid, ethyl ester. 3-Phenylpropionic acid, but-3-yn-2-yl ester. 3-Phenylpropionic acid, hex-4-yn-3-yl ester. Succinic acid, 2-methylpent-3-yl 3-phenylpropyl ester.

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