Chemical Properties of Phenethyl stearate (CAS 72934-13-5)

Phenethyl stearate

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InChI
InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(27)28-24-23-25-20-17-16-18-21-25/h16-18,20-21H,2-15,19,22-24H2,1H3
InChI Key
NEPWYQKPLAOWOC-UHFFFAOYSA-N
Formula
C26H44O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCc1ccccc1
Molecular Weight1
388.63
CAS
72934-13-5
Sources

Physical Properties

Property Value Unit Source
Δf 46.53 kJ/mol Joback Calculated Property
Δfgas -588.24 kJ/mol Joback Calculated Property
Δfus 59.92 kJ/mol Joback Calculated Property
Δvap 84.90 kJ/mol Joback Calculated Property
logPoct/wat 8.03 Crippen Calculated Property
Pc 898.02 kPa Joback Calculated Property
Tboil 897.25 K Joback Calculated Property
Tc 1098.93 K Joback Calculated Property
Tfus 481.36 K Joback Calculated Property
Vc 1.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1192.71 J/mol×K 897.25 Joback Calculated Property
η 0.00 Pa×s 897.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 18
-CH3 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. Dodecanoic acid, 2-phenylethyl ester. 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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