Chemical Properties of Dimethylmalonic acid, di(3-phenylpropyl) ester

Dimethylmalonic acid, di(3-phenylpropyl) ester

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InChI
InChI=1S/C23H28O4/c1-23(2,21(24)26-17-9-15-19-11-5-3-6-12-19)22(25)27-18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
InChI Key
NYJIXRFZLWGUNS-UHFFFAOYSA-N
Formula
C23H28O4
SMILES
CC(C)(C(=O)OCCCc1ccccc1)C(=O)OCCCc1ccccc1
Molecular Weight1
368.47
Sources

Physical Properties

Property Value Unit Source
Δf -97.40 kJ/mol Joback Calculated Property
Δfgas -543.34 kJ/mol Joback Calculated Property
Δfus 41.57 kJ/mol Joback Calculated Property
Δvap 88.36 kJ/mol Joback Calculated Property
logPoct/wat 4.36 Crippen Calculated Property
Pc 1420.78 kPa Joback Calculated Property
Tboil 928.35 K Joback Calculated Property
Tc 1154.94 K Joback Calculated Property
Tfus 548.55 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 958.49 J/mol×K 928.35 Joback Calculated Property
η 0.00 Pa×s 928.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 10
=C< (ring) 2
-CH2- 6
>C< 1
-CH3 2

Similar Compounds

Dimethylmalonic acid, ethyl 3-phenylpropyl ester. Dimethylmalonic acid, 3-phenylpropyl propyl ester. Dimethylmalonic acid, isobutyl 3-phenylpropyl ester. Dimethylmalonic acid, butyl 3-phenylpropyl ester. Dimethylmalonic acid, pentyl 3-phenylpropyl ester. Dimethylmalonic acid, hexyl 3-phenylpropyl ester. Dimethylmalonic acid, isohexyl 3-phenylpropyl ester. Dimethylmalonic acid, heptyl 3-phenylpropyl ester. Dimethylmalonic acid, octyl 3-phenylpropyl ester. Dimethylmalonic acid, dodecyl 3-phenylpropyl ester. Dimethylmalonic acid, decyl 3-phenylpropyl ester. Dimethylmalonic acid, octadecyl 3-phenylpropyl ester. Dimethylmalonic acid, hexadecyl 3-phenylpropyl ester. Dimethylmalonic acid, 3-phenylpropyl tridecyl ester. Dimethylmalonic acid, heptadecyl 3-phenylpropyl ester.

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