Chemical Properties of Dimethylmalonic acid, heptadecyl 3-phenylpropyl ester

Dimethylmalonic acid, heptadecyl 3-phenylpropyl ester

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InChI
InChI=1S/C31H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-34-29(32)31(2,3)30(33)35-27-22-25-28-23-19-18-20-24-28/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3
InChI Key
XVWYNLMXRBAEBY-UHFFFAOYSA-N
Formula
C31H52O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1
Molecular Weight1
488.74
Sources

Physical Properties

Property Value Unit Source
Δf -142.45 kJ/mol Joback Calculated Property
Δfgas -944.99 kJ/mol Joback Calculated Property
Δfus 68.25 kJ/mol Joback Calculated Property
Δvap 103.89 kJ/mol Joback Calculated Property
logPoct/wat 8.60 Crippen Calculated Property
Pc 710.35 kPa Joback Calculated Property
Tboil 1084.71 K Joback Calculated Property
Tc 1341.44 K Joback Calculated Property
Tfus 612.29 K Joback Calculated Property
Vc 1.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1561.76 J/mol×K 1084.71 Joback Calculated Property
η 0.00 Pa×s 1084.71 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 5
=C< (ring) 1
-CH2- 19
>C< 1
>C=O (nonring) 2

Similar Compounds

Dimethylmalonic acid, octyl 3-phenylpropyl ester. Dimethylmalonic acid, octadecyl 3-phenylpropyl ester. Dimethylmalonic acid, nonyl 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.

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

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