Chemical Properties of 2-Phenylethyl butyrate (CAS 103-52-6)

2-Phenylethyl butyrate

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InChI
InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key
WFNDDSQUKATKNX-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCC(=O)OCCc1ccccc1
Molecular Weight1
192.25
CAS
103-52-6
Other Names
  • 2-Phenethyl butanoate
  • 2-Phenylethyl butanoate
  • 2-Phenylethyl butyrate
  • Benzylcarbinyl butyrate
  • Butanoic acid, 2-phenylethyl ester
  • Butyric acid, phenethyl ester
  • Phenethyl butanoate
  • Phenethyl butyrate
  • Phenylethyl butyrate
  • «beta»-Phenethyl n-butanoate
  • «beta»-Phenylethyl n-butyrate
Sources

Physical Properties

Property Value Unit Source
Δf -71.35 kJ/mol Joback Calculated Property
Δfgas -299.28 kJ/mol Joback Calculated Property
Δfus 23.66 kJ/mol Joback Calculated Property
Δvap 53.74 kJ/mol Joback Calculated Property
logPoct/wat 2.57 Crippen Calculated Property
Pc 2517.59 kPa Joback Calculated Property
Tboil 576.93 K Joback Calculated Property
Tc 782.93 K Joback Calculated Property
Tfus 323.58 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.04 J/mol×K 576.93 Joback Calculated Property
η 0.00 Pa×s 576.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 4
-CH3 1

Similar Compounds

Valeric acid, 2-phenylethyl ester. Butanoic acid, 3-methyl-, 2-phenylethyl ester. Propanoic acid, 2-phenylethyl ester. Hexanoic acid, 2-phenylethyl ester. Glutaric acid, ethyl phenethyl ester. Glutaric acid, di(phenethyl) ester. Butanoic acid, 2-methyl-, 2-phenylethyl ester. Phenylethyl acetoacetate. Glutaric acid, phenethyl propyl ester. Pimelic acid, di(phenethyl) ester. Heptanoic acid, 2-phenylethyl ester. Pimelic acid, ethyl phenethyl ester. Phenethyl palmitate. Phenethyl stearate. Dodecanoic acid, 2-phenylethyl ester.

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