Chemical Properties of 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester (CAS 122-67-8)

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester

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InChI
InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChI Key
IQZUZPKOFSOVET-CMDGGOBGSA-N
Formula
C13H16O2
SMILES
CC(C)COC(=O)C=Cc1ccccc1
Molecular Weight1
204.26
CAS
122-67-8
Other Names
  • Cinnamic acid, isobutyl ester
  • Isobutyl cinammate
  • Isobutyl cinnamate
  • Labdanol
Sources

Physical Properties

Property Value Unit Source
Δf 14.85 kJ/mol Joback Calculated Property
Δfgas -207.98 kJ/mol Joback Calculated Property
Δfus 22.93 kJ/mol Joback Calculated Property
Δvap 55.53 kJ/mol Joback Calculated Property
logPoct/wat 2.90 Crippen Calculated Property
Pc 2429.05 kPa Joback Calculated Property
Tboil 603.53 K Joback Calculated Property
Tc 819.28 K Joback Calculated Property
Tfus 314.77 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 423.50 J/mol×K 603.53 Joback Calculated Property
η 0.00 Pa×s 603.53 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- 1
=CH- 2
-CH3 2

Similar Compounds

n-Propyl cinnamate. 2-Propenoic acid, 3-phenyl-, 2-methylbutyl ester. n-Butyl cinnamate. 2-Propenoic acid, 3-phenyl-, ethyl ester. 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-. (Z)-Ethyl cinnamate. Isoamyl cinnamate. trans-Amyl cinnamate. cis-Amyl cinnamate. 2-Propenoic acid, 3-phenyl-, pentyl ester. cis-3-Hexenylcinnamate. cis-Allyl cinnamate. Allyl cinnamate. 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester. Cinnamyl cinnamate.

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester.

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