Chemical Properties of Dodecanoic acid, 2-phenylethyl ester (CAS 6309-54-2)

Dodecanoic acid, 2-phenylethyl ester

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InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-13-16-20(21)22-18-17-19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3
InChI Key
WAKJZNSYKIRWFX-UHFFFAOYSA-N
Formula
C20H32O2
SMILES
CCCCCCCCCCCC(=O)OCCc1ccccc1
Molecular Weight1
304.47
CAS
6309-54-2
Other Names
  • 2-Phenylethyl dodecanoate
  • 2-Phenylethyl laurate
Sources

Physical Properties

Property Value Unit Source
Δf -3.99 kJ/mol Joback Calculated Property
Δfgas -464.40 kJ/mol Joback Calculated Property
Δfus 44.38 kJ/mol Joback Calculated Property
Δvap 71.55 kJ/mol Joback Calculated Property
logPoct/wat 5.69 Crippen Calculated Property
Pc 1311.80 kPa Joback Calculated Property
Tboil 759.97 K Joback Calculated Property
Tc 950.54 K Joback Calculated Property
Tfus 413.74 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 826.21 J/mol×K 759.97 Joback Calculated Property
η 0.00 Pa×s 759.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 12
>C=O (nonring) 1

Similar Compounds

Phenethyl icosanoate. Phenethyl tetradecanoate. Nonanoic acid, 2-phenylethyl ester. Phenethyl palmitate. Octanoic acid, 2-phenylethyl ester. Decanoic acid, 2-phenylethyl ester. 2-Phenylethyl docosanoate. 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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