Chemical Properties of 2-Phenylethyl docosanoate (CAS 104899-74-3)

2-Phenylethyl docosanoate

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InChI
InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3
InChI Key
OCCJNJQOJXFKQO-UHFFFAOYSA-N
Formula
C30H52O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCc1ccccc1
Molecular Weight1
444.73
CAS
104899-74-3
Sources

Physical Properties

Property Value Unit Source
Δf 80.21 kJ/mol Joback Calculated Property
Δfgas -670.80 kJ/mol Joback Calculated Property
Δfus 70.28 kJ/mol Joback Calculated Property
Δvap 93.81 kJ/mol Joback Calculated Property
logPoct/wat 9.59 Crippen Calculated Property
Pc 722.24 kPa Joback Calculated Property
Tboil 988.77 K Joback Calculated Property
Tc 1215.45 K Joback Calculated Property
Tfus 526.44 K Joback Calculated Property
Vc 1.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1449.39 J/mol×K 988.77 Joback Calculated Property
η 0.00 Pa×s 988.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 22
>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. 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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