Chemical Properties of Diethyl 2-(2-cyanoethyl)-malonate (CAS 17216-62-5)

Diethyl 2-(2-cyanoethyl)-malonate

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InChI
InChI=1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
InChI Key
YJJLOESDBPRZIP-UHFFFAOYSA-N
Formula
C10H15NO4
SMILES
CCOC(=O)C(CCC#N)C(=O)OCC
Molecular Weight1
213.23
CAS
17216-62-5
Other Names
  • Diethyl (2-cyanoethyl)malonate
  • Diethyl 2-cyanomalonate
  • Propanedioic acid, (2-cyanoethyl)-, diethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -303.78 kJ/mol Joback Calculated Property
Δfgas -579.73 kJ/mol Joback Calculated Property
Δfus 25.21 kJ/mol Joback Calculated Property
Δvap 66.26 kJ/mol Joback Calculated Property
logPoct/wat 1.03 Crippen Calculated Property
Pc 2261.11 kPa Joback Calculated Property
Tboil 682.42 K Joback Calculated Property
Tc 879.91 K Joback Calculated Property
Tfus 396.77 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.83 J/mol×K 682.42 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propanedioic acid, propyl-, diethyl ester. Diethyl isobutylmalonate. Diethyl butylmalonate. Diethyl 2-(But-3-enyl)propanedioate. Diethyl octylmalonate. Diethyl sec-butylmalonate. Diethyl-1-ethylpropyl malonate. Propanedioic acid, ethyl-, diethyl ester. Ethylmalonic acid dipropyl ester. Ethylmalonic acid dibutyl ester. Diethyl 1,1-cyclobutanedicarboxylate. Propanedioic acid, propyl-, dimethyl ester. Propanedioic acid, 2-propenyl-, diethyl ester. Propanedioic acid, ethylmethyl-, diethyl ester. Diethyl tert-butylmalonate.

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