Chemical Properties of Butanoic acid, 3-methyl-, 2-phenylethyl ester (CAS 140-26-1)

Butanoic acid, 3-methyl-, 2-phenylethyl ester

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InChI
InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChI Key
JIMGVOCOYZFDKB-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CC(C)CC(=O)OCCc1ccccc1
Molecular Weight1
206.28
CAS
140-26-1
Other Names
  • 2-Phenylethyl 3-methylbutanoate
  • 2-Phenylethyl 3-methylbutirate
  • 2-Phenylethyl isopentanoate
  • 2-phenylethyl isovalerate
  • Isovaleric acid, phenethyl ester
  • Phenethyl isovalerate
  • Phenyl ethyl 3-methyl-butanoate
  • Phenylethyl isovalerate
  • phenylethyl 3-methylbutyrate
  • «beta»-Phenylethyl isovalerate
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

2-Phenylethyl butyrate. Valeric acid, 2-phenylethyl ester. Butanoic acid, 2-methyl-, 2-phenylethyl ester. Hexanoic acid, 2-phenylethyl ester. Propanoic acid, 2-phenylethyl ester. Glutaric acid, ethyl phenethyl ester. Glutaric acid, di(phenethyl) ester. Heptanoic acid, 2-phenylethyl ester. Pimelic acid, ethyl phenethyl ester. Pimelic acid, di(phenethyl) ester. Phenethyl icosanoate. Phenethyl tetradecanoate. Octanoic acid, 2-phenylethyl ester. Phenethyl stearate. Decanoic acid, 2-phenylethyl ester.

Find more compounds similar to Butanoic acid, 3-methyl-, 2-phenylethyl ester.

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