Chemical Properties of Dimethylmalonic acid, nonyl 3-phenylpropyl ester

Dimethylmalonic acid, nonyl 3-phenylpropyl ester

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InChI
InChI=1S/C23H36O4/c1-4-5-6-7-8-9-13-18-26-21(24)23(2,3)22(25)27-19-14-17-20-15-11-10-12-16-20/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3
InChI Key
HOKSBSLYFODVBM-UHFFFAOYSA-N
Formula
C23H36O4
SMILES
CCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1
Molecular Weight1
376.53
Sources

Physical Properties

Property Value Unit Source
Δf -209.81 kJ/mol Joback Calculated Property
Δfgas -779.87 kJ/mol Joback Calculated Property
Δfus 47.53 kJ/mol Joback Calculated Property
Δvap 86.08 kJ/mol Joback Calculated Property
logPoct/wat 5.48 Crippen Calculated Property
Pc 1123.06 kPa Joback Calculated Property
Tboil 901.67 K Joback Calculated Property
Tc 1108.90 K Joback Calculated Property
Tfus 522.13 K Joback Calculated Property
Vc 1.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1058.97 J/mol×K 901.67 Joback Calculated Property
η 0.00 Pa×s 901.67 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 11
>C< 1
-CH3 3

Similar Compounds

Dimethylmalonic acid, heptadecyl 3-phenylpropyl ester. Dimethylmalonic acid, octyl 3-phenylpropyl ester. Dimethylmalonic acid, octadecyl 3-phenylpropyl ester. Dimethylmalonic acid, decyl 3-phenylpropyl ester. Dimethylmalonic acid, 3-phenylpropyl undecyl ester. Dimethylmalonic acid, dodecyl 3-phenylpropyl ester. Dimethylmalonic acid, 3-phenylpropyl tetradecyl ester. Dimethylmalonic acid, 3-phenylpropyl tridecyl ester. Dimethylmalonic acid, hexadecyl 3-phenylpropyl ester. Dimethylmalonic acid, heptyl 3-phenylpropyl ester. Dimethylmalonic acid, hexyl 3-phenylpropyl ester. Dimethylmalonic acid, pentyl 3-phenylpropyl ester. Dimethylmalonic acid, isohexyl 3-phenylpropyl ester. Dimethylmalonic acid, butyl 3-phenylpropyl ester. Dimethylmalonic acid, di(3-phenylpropyl) ester.

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