Chemical Properties of Hexanoic acid, 2-phenylethyl ester (CAS 6290-37-5)

Hexanoic acid, 2-phenylethyl ester

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InChI
InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChI Key
BUYNWUMUDHPPDS-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCCCC(=O)OCCc1ccccc1
Molecular Weight1
220.31
CAS
6290-37-5
Other Names
  • 2-Phenethyl hexanoate
  • 2-Phenylethyl caproate
  • 2-Phenylethyl hexanoate
  • Hexanoic acid, phenethyl ester
  • NSC 6651
  • Phenethyl hexanoate
  • Phenylethyl caproate
  • Phenylethyl hexanoate
  • Phenylethyl n-hexanoate
Sources

Physical Properties

Property Value Unit Source
Δf -54.51 kJ/mol Joback Calculated Property
Δfgas -340.56 kJ/mol Joback Calculated Property
Δfus 28.84 kJ/mol Joback Calculated Property
Δvap 58.19 kJ/mol Joback Calculated Property
logPoct/wat 3.35 Crippen Calculated Property
Pc 2094.58 kPa Joback Calculated Property
Tboil 622.69 K Joback Calculated Property
Tc 822.76 K Joback Calculated Property
Tfus 346.12 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.13 J/mol×K 622.69 Joback Calculated Property
η 0.00 Pa×s 622.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 6
>C=O (nonring) 1

Similar Compounds

Heptanoic acid, 2-phenylethyl ester. Pimelic acid, ethyl phenethyl ester. Pimelic acid, di(phenethyl) ester. Octanoic acid, 2-phenylethyl ester. Nonanoic acid, 2-phenylethyl ester. Dodecanoic acid, 2-phenylethyl ester. Phenethyl icosanoate. 2-Phenylethyl docosanoate. Decanoic acid, 2-phenylethyl ester. Phenethyl palmitate. Phenethyl tetradecanoate. Phenethyl stearate. Pimelic acid, phenethyl propyl ester. Valeric acid, 2-phenylethyl ester. Pimelic acid, butyl phenethyl ester.

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