Chemical Properties of Dimethylmalonic acid, octyl 2-phenethyl ester

Dimethylmalonic acid, octyl 2-phenethyl ester

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InChI
InChI=1S/C21H32O4/c1-4-5-6-7-8-12-16-24-19(22)21(2,3)20(23)25-17-15-18-13-10-9-11-14-18/h9-11,13-14H,4-8,12,15-17H2,1-3H3
InChI Key
AEPVXVNAUZJNOI-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCCCOC(=O)C(C)(C)C(=O)OCCc1ccccc1
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -226.65 kJ/mol Joback Calculated Property
Δfgas -738.59 kJ/mol Joback Calculated Property
Δfus 42.35 kJ/mol Joback Calculated Property
Δvap 81.63 kJ/mol Joback Calculated Property
logPoct/wat 4.702 Crippen Calculated Property
Pc 1282.83 kPa Joback Calculated Property
Tboil 855.91 K Joback Calculated Property
Tc 1060.47 K Joback Calculated Property
Tfus 499.59 K Joback Calculated Property
Vc 1.141 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 938.54 J/mol×K 855.91 Joback Calculated Property
η 0.0000369 Pa×s 855.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 9
>C< 1
-CH3 3

Similar Compounds

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

Find more compounds similar to Dimethylmalonic acid, octyl 2-phenethyl ester.

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