Chemical Properties of Dimethylmalonic acid, heptyl 3-phenylpropyl ester

Dimethylmalonic acid, heptyl 3-phenylpropyl ester

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InChI
InChI=1S/C21H32O4/c1-4-5-6-7-11-16-24-19(22)21(2,3)20(23)25-17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3
InChI Key
JPBMFFPSKJVVCN-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1
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 4.70 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 1.14 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 0.00 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, 3-phenylpropyl tetradecyl ester. Dimethylmalonic acid, dodecyl 3-phenylpropyl ester. Dimethylmalonic acid, octyl 3-phenylpropyl ester. Dimethylmalonic acid, decyl 3-phenylpropyl ester. Dimethylmalonic acid, nonyl 3-phenylpropyl ester. Dimethylmalonic acid, 3-phenylpropyl tridecyl ester. Dimethylmalonic acid, 3-phenylpropyl undecyl ester. Dimethylmalonic acid, heptadecyl 3-phenylpropyl ester. Dimethylmalonic acid, octadecyl 3-phenylpropyl ester. Dimethylmalonic acid, hexadecyl 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.

Find more compounds similar to Dimethylmalonic acid, heptyl 3-phenylpropyl ester.

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