Chemical Properties of Pimelic acid, di(phenethyl) ester

Pimelic acid, di(phenethyl) ester

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InChI
InChI=1S/C23H28O4/c24-22(26-18-16-20-10-4-1-5-11-20)14-8-3-9-15-23(25)27-19-17-21-12-6-2-7-13-21/h1-2,4-7,10-13H,3,8-9,14-19H2
InChI Key
LSKMSPAJKQIPCN-UHFFFAOYSA-N
Formula
C23H28O4
SMILES
O=C(CCCCCC(=O)OCCc1ccccc1)OCCc1ccccc1
Molecular Weight1
368.47
Sources

Physical Properties

Property Value Unit Source
Δf -100.24 kJ/mol Joback Calculated Property
Δfgas -534.59 kJ/mol Joback Calculated Property
Δfus 48.98 kJ/mol Joback Calculated Property
Δvap 89.66 kJ/mol Joback Calculated Property
logPoct/wat 4.51 Crippen Calculated Property
Pc 1400.64 kPa Joback Calculated Property
Tboil 931.58 K Joback Calculated Property
Tc 1152.51 K Joback Calculated Property
Tfus 546.13 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 958.01 J/mol×K 931.58 Joback Calculated Property
η 0.00 Pa×s 931.58 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< (ring) 2
-CH2- 9
>C=O (nonring) 2
=CH- (ring) 10

Similar Compounds

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

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