85688-95-5

Basic information

• Product Name: Ethyl(1,1-dimethylpropyl)malononitrile
• Synonyms: Ethyl(1,1-dimethylpropyl)malononitrile
• CAS NO: 85688-95-5
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.2474
• Mol File: 85688-95-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 265.2°Cat760mmHg
• Flash Point: 108.1°C
• Appearance: /
• Density: 0.91g/cm³
• Vapor Pressure: 0.00929mmHg at 25°C
• Refractive Index: 1.446
• CAS DataBase Reference: Ethyl(1,1-dimethylpropyl)malononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl(1,1-dimethylpropyl)malononitrile(85688-95-5)
• EPA Substance Registry System: Ethyl(1,1-dimethylpropyl)malononitrile(85688-95-5)

Safety Data

• Hazardous Substances Data: 85688-95-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H16N2/c1-5-9(3,4)10(6-2,7-11)8-12/h5-6H2,1-4H3

Upstream product

• 4626-36-2 2,2-Dimethyl-1,1-butandicarbonitril 
• 75-03-6 ethyl iodide 

Downstream Products

• 78-78-4 methylbutane 
• 3696-37-5 2-ethylmalononitrile 

Relevant articles and documents

Substituent Effects on the C-C-Bond Strength, 3. The Thermal Stability of 2,2-Disubstituted Malononitriles

The products, the rate constants and the activation parameters of the homolytic thermal decomposition of a series of malononitriles 8a - e were determined.A linear correlation is found between ΔG* (300 deg C) and the strain enthalpies Hsp of 8 as deduced from force field calculations (MM2 force field).From this correlation and a comparison with the corresponding relationship for Cq-Cq alkanes 9.2 kcal*mol-1 resonance energy of 1,1-dicyanoalkyl radicals 10 is estimated.The relationships between strain enthalpy Hsp, structure and barriers to internal rotation for the compounds 8 are discussed briefly.