Chemical Properties of Dimethylmalonic acid, di(2-phenethyl) ester

Dimethylmalonic acid, di(2-phenethyl) ester

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InChI
InChI=1S/C21H24O4/c1-21(2,19(22)24-15-13-17-9-5-3-6-10-17)20(23)25-16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChI Key
SKBRKUZQKUIQNK-UHFFFAOYSA-N
Formula
C21H24O4
SMILES
CC(C)(C(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1
Molecular Weight1
340.41
Sources

Physical Properties

Property Value Unit Source
Δf -114.24 kJ/mol Joback Calculated Property
Δfgas -502.06 kJ/mol Joback Calculated Property
Δfus 36.39 kJ/mol Joback Calculated Property
Δvap 83.91 kJ/mol Joback Calculated Property
logPoct/wat 3.584 Crippen Calculated Property
Pc 1651.11 kPa Joback Calculated Property
Tboil 882.59 K Joback Calculated Property
Tc 1111.91 K Joback Calculated Property
Tfus 526.01 K Joback Calculated Property
Vc 1.032 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 841.26 J/mol×K 882.59 Joback Calculated Property
η 0.0000374 Pa×s 882.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 10
=C< (ring) 2
-CH2- 4
>C< 1
-CH3 2

Similar Compounds

Dimethylmalonic acid, ethyl 2-phenethyl ester. Dimethylmalonic acid, 2-phenethyl propyl ester. Dimethylmalonic acid, isobutyl 2-phenethyl ester. Dimethylmalonic acid, butyl 2-phenethyl ester. Dimethylmalonic acid, pentyl 2-phenethyl ester. Dimethylmalonic acid, isohexyl 2-phenethyl ester. Dimethylmalonic acid, heptyl 2-phenethyl ester. Dimethylmalonic acid, dodecyl 2-phenethyl ester. Dimethylmalonic acid, octyl 2-phenethyl ester. Dimethylmalonic acid, heptadecyl 2-phenethyl ester. Dimethylmalonic acid, hexadecyl 2-phenethyl ester. Dimethylmalonic acid, octadecyl 2-phenethyl ester. Dimethylmalonic acid, pentadecyl 2-phenethyl ester. Dimethylmalonic acid, 2-phenethyl tridecyl ester. Dimethylmalonic acid, nonyl 2-phenethyl ester.

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