Chemical Properties of Diethylmalonic acid, di(4-cyanophenyl) ester

Diethylmalonic acid, di(4-cyanophenyl) ester

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InChI
InChI=1S/C21H18N2O4/c1-3-21(4-2,19(24)26-17-9-5-15(13-22)6-10-17)20(25)27-18-11-7-16(14-23)8-12-18/h5-12H,3-4H2,1-2H3
InChI Key
BDBABQHKCDQJKI-UHFFFAOYSA-N
Formula
C21H18N2O4
SMILES
CCC(CC)(C(=O)Oc1ccc(C#N)cc1)C(=O)Oc1ccc(C#N)cc1
Molecular Weight1
362.38
Sources

Physical Properties

Property Value Unit Source
Δf 132.86 kJ/mol Joback Calculated Property
Δfgas -195.24 kJ/mol Joback Calculated Property
Δfus 38.62 kJ/mol Joback Calculated Property
Δvap 106.19 kJ/mol Joback Calculated Property
logPoct/wat 3.75 Crippen Calculated Property
Pc 1548.78 kPa Joback Calculated Property
Tboil 1096.71 K Joback Calculated Property
Tc 1352.81 K Joback Calculated Property
Tfus 681.03 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 850.30 J/mol×K 1096.71 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Diethylmalonic acid, di(3-methylphenyl) ester. Diethylmalonic acid, 4-cyanophenyl ethyl ester. Diethylmalonic acid, di(4-methoxyphenyl) ester. Diethylmalonic acid, 4-cyanophenyl propyl ester. Diethylmalonic acid, di(4-acetylphenyl) ester. Diethylmalonic acid, butyl 4-cyanophenyl ester. Diethylmalonic acid, 4-cyanophenyl isobutyl ester. Diethylmalonic acid, 4-cyanophenyl pentyl ester. Diethylmalonic acid, 4-cyanophenyl hexyl ester. Diethylmalonic acid, 4-cyanophenyl decyl ester. Diethylmalonic acid, 4-cyanophenyl nonyl ester. Diethylmalonic acid, 4-cyanophenyl octyl ester. Diethylmalonic acid, 4-cyanophenyl heptyl ester. Diethylmalonic acid, 4-cyanophenyl undecyl ester. Diethylmalonic acid, di(4-bromophenyl) ester.

Find more compounds similar to Diethylmalonic acid, di(4-cyanophenyl) ester.

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