Chemical Properties of Diethylmalonic acid, 4-cyanophenyl heptyl ester

Diethylmalonic acid, 4-cyanophenyl heptyl ester

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InChI
InChI=1S/C21H29NO4/c1-4-7-8-9-10-15-25-19(23)21(5-2,6-3)20(24)26-18-13-11-17(16-22)12-14-18/h11-14H,4-10,15H2,1-3H3
InChI Key
BJMXZXIEHGBEIP-UHFFFAOYSA-N
Formula
C21H29NO4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(C#N)cc1
Molecular Weight1
359.46
Sources

Physical Properties

Property Value Unit Source
Δf -103.10 kJ/mol Joback Calculated Property
Δfgas -585.18 kJ/mol Joback Calculated Property
Δfus 43.46 kJ/mol Joback Calculated Property
Δvap 92.77 kJ/mol Joback Calculated Property
logPoct/wat 4.78 Crippen Calculated Property
Pc 1246.85 kPa Joback Calculated Property
Tboil 962.97 K Joback Calculated Property
Tc 1184.47 K Joback Calculated Property
Tfus 577.10 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 960.89 J/mol×K 962.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CN 1
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
>C< 1
-CH3 3

Similar Compounds

Diethylmalonic acid, 4-cyanophenyl nonyl ester. Diethylmalonic acid, 4-cyanophenyl undecyl ester. Diethylmalonic acid, 4-cyanophenyl decyl ester. Diethylmalonic acid, 4-cyanophenyl octyl ester. Diethylmalonic acid, 4-cyanophenyl hexyl ester. Diethylmalonic acid, 4-cyanophenyl pentyl ester. Diethylmalonic acid, butyl 4-cyanophenyl ester. Diethylmalonic acid, 4-cyanophenyl propyl ester. Diethylmalonic acid, 4-cyanophenyl isobutyl ester. Diethylmalonic acid, 4-cyanophenyl ethyl ester. Diethylmalonic acid, 3-methylphenyl nonyl ester. Diethylmalonic acid, 3-methylphenyl octyl ester. Diethylmalonic acid, 3-methylphenyl octadecyl ester. Diethylmalonic acid, 3-methylphenyl pentadecyl ester. Diethylmalonic acid, 3-methylphenyl undecyl ester.

Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl heptyl ester.

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