Chemical Properties of Diethylmalonic acid, 4-cyanophenyl isobutyl ester

Diethylmalonic acid, 4-cyanophenyl isobutyl ester

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InChI
InChI=1S/C18H23NO4/c1-5-18(6-2,16(20)22-12-13(3)4)17(21)23-15-9-7-14(11-19)8-10-15/h7-10,13H,5-6,12H2,1-4H3
InChI Key
YDPZPDZPWONJBS-UHFFFAOYSA-N
Formula
C18H23NO4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccc(C#N)cc1
Molecular Weight1
317.38
Sources

Physical Properties

Property Value Unit Source
Δf -130.80 kJ/mol Joback Calculated Property
Δfgas -528.54 kJ/mol Joback Calculated Property
Δfus 32.17 kJ/mol Joback Calculated Property
Δvap 85.71 kJ/mol Joback Calculated Property
logPoct/wat 3.47 Crippen Calculated Property
Pc 1554.90 kPa Joback Calculated Property
Tboil 893.89 K Joback Calculated Property
Tc 1115.96 K Joback Calculated Property
Tfus 528.29 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 786.36 J/mol×K 893.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

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