Chemical Properties of Decanoic acid, 2-phenylethyl ester (CAS 61810-55-7)

Decanoic acid, 2-phenylethyl ester

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InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
InChI Key
DDMQLUJPAGWJOB-UHFFFAOYSA-N
Formula
C18H28O2
SMILES
CCCCCCCCCC(=O)OCCc1ccccc1
Molecular Weight1
276.41
CAS
61810-55-7
Other Names
  • 2-Phenylethyl decanoate
  • Phenylethyl n-decanoate
  • phenethyl decanoate
Sources

Physical Properties

Property Value Unit Source
Δf -20.83 kJ/mol Joback Calculated Property
Δfgas -423.12 kJ/mol Joback Calculated Property
Δfus 39.20 kJ/mol Joback Calculated Property
Δvap 67.09 kJ/mol Joback Calculated Property
logPoct/wat 4.91 Crippen Calculated Property
Pc 1515.21 kPa Joback Calculated Property
Tboil 714.21 K Joback Calculated Property
Tc 906.19 K Joback Calculated Property
Tfus 391.20 K Joback Calculated Property
Vc 0.96 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 710.91 J/mol×K 714.21 Joback Calculated Property
η 0.00 Pa×s 714.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 10
-CH3 1

Similar Compounds

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

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