Chemical Properties of Benzenepropanoic acid 1-methylethyl ester (CAS 22767-95-9)

Benzenepropanoic acid 1-methylethyl ester

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InChI
InChI=1S/C12H16O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key
YQPAOLMOGAHRLG-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CC(C)OC(=O)CCc1ccccc1
Molecular Weight1
192.25
CAS
22767-95-9
Other Names
  • 3-Phenyl-propionic acid, isopropyl ester
  • Isopropyl 3-phenylpropanoate
Sources

Physical Properties

Property Value Unit Source
Δf -73.79 kJ/mol Joback Calculated Property
Δfgas -304.56 kJ/mol Joback Calculated Property
Δfus 20.14 kJ/mol Joback Calculated Property
Δvap 53.35 kJ/mol Joback Calculated Property
logPoct/wat 2.57 Crippen Calculated Property
Pc 2537.93 kPa Joback Calculated Property
Tboil 576.49 K Joback Calculated Property
Tc 786.80 K Joback Calculated Property
Tfus 308.58 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.41 J/mol×K 576.49 Joback Calculated Property
η 0.00 Pa×s 576.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzenepropanoic acid, ethyl ester. 3-Phenylpropionic acid, but-3-yn-2-yl ester. Benzenepropanoic acid, 3-phenylpropyl ester. 3-Phenylpropanoic acid methyl ester. 3-Phenylpropionic acid, 3-methylbut-2-yl ester. 3-Phenylpropanoic anhydride. Benzenepropanoic acid, pentyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. Benzenepropanoic acid, hexyl ester. 2-Phenethyl-.beta.-phenylpropionate. 3-Phenylpropionic acid, 2-methylbutyl ester. 3-Phenylpropionic acid, 2,2,2-trichloroethyl ester. (Z)-Hex-3-enyl dihydrocinnamate. 3-Phenylpropionic acid, pent-2-en-4-ynyl ester. 3-Phenylpropionic acid, 8-chlorooctyl ester.

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