Chemical Properties of Valeric acid, 2-phenylethyl ester (CAS 7460-74-4)

Valeric acid, 2-phenylethyl ester

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InChI
InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChI Key
PDGPIBIURNPBSE-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCC(=O)OCCc1ccccc1
Molecular Weight1
206.28
CAS
7460-74-4
Other Names
  • 2-Phenethyl pentanoate
  • 2-Phenylethyl pentanoate
  • NSC 404213
  • Phenethyl valerate
  • Phenylethyl N-valerate
  • Phenylethyl pentanoate
  • Phenylethyl valerate
  • Valeric acid, 2-phenylethyl ester
  • Valeric acid, phenethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -62.93 kJ/mol Joback Calculated Property
Δfgas -319.92 kJ/mol Joback Calculated Property
Δfus 26.25 kJ/mol Joback Calculated Property
Δvap 55.96 kJ/mol Joback Calculated Property
logPoct/wat 2.96 Crippen Calculated Property
Pc 2291.52 kPa Joback Calculated Property
Tboil 599.81 K Joback Calculated Property
Tc 802.73 K Joback Calculated Property
Tfus 334.85 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.32 J/mol×K 599.81 Joback Calculated Property
η 0.00 Pa×s 599.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Hexanoic acid, 2-phenylethyl ester. Glutaric acid, di(phenethyl) ester. Glutaric acid, ethyl phenethyl ester. Glutaric acid, phenethyl propyl ester. 2-Phenylethyl butyrate. Pimelic acid, ethyl phenethyl ester. Pimelic acid, di(phenethyl) ester. Heptanoic acid, 2-phenylethyl ester. Phenethyl icosanoate. Dodecanoic acid, 2-phenylethyl ester. Phenethyl palmitate. Phenethyl stearate. Decanoic acid, 2-phenylethyl ester. Octanoic acid, 2-phenylethyl ester. Nonanoic acid, 2-phenylethyl ester.

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