Chemical Properties of Ethyl(1,1-dimethylpropyl)malononitrile (CAS 85688-95-5)

Ethyl(1,1-dimethylpropyl)malononitrile

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InChI
InChI=1S/C10H16N2/c1-5-9(3,4)10(6-2,7-11)8-12/h5-6H2,1-4H3
InChI Key
PGJYGIZMFMZNAZ-UHFFFAOYSA-N
Formula
C10H16N2
SMILES
CCC(C)(C)C(C#N)(C#N)CC
Molecular Weight1
164.25
CAS
85688-95-5
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6206.80 ± 1.70 kJ/mol NIST
Δf 305.36 kJ/mol Joback Calculated Property
Δfgas 61.30 ± 1.90 kJ/mol NIST
Δfsolid -15.00 ± 1.70 kJ/mol NIST
Δfus 9.84 kJ/mol Joback Calculated Property
Δsub 76.23 ± 0.75 kJ/mol NIST
Δsub 76.30 kJ/mol NIST
Δsub 76.20 ± 0.80 kJ/mol NIST
Δvap 56.22 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2085.03 kPa Joback Calculated Property
Tboil 625.90 K Joback Calculated Property
Tc 844.90 K Joback Calculated Property
Tfus 337.28 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 396.24 J/mol×K 625.9 Joback Calculated Property
ΔfusH 19.25 kJ/mol 307.5 NIST

Molecular Descriptors

Joback and Reid Groups
-CN 2
-CH2- 2
-CH3 4
>C< 2

Similar Compounds

Meso-2,3-diethyl-2,3-dimethylsuccinonitrile. Methyl(1,1,2-trimethylpropyl)malononitrile. Tetraisobutylsucccinonitrile. Tetracyclopropylsuccinonitrile. t-Butylmalononitrile. 1,1,2,2-Cyclopropane-tetracarbonitrile. Tetramethylbutanedinitrile. 1-Adamantane carbonitrile. Hexane, 3,3,4,4-tetramethyl-. Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile. Hexane, 3,3,4-trimethyl-. 3,4-Dimethyl-3,4-diethyl-hexane. Hexane, 2,2,3,3-tetramethyl-. Hexane, 3-ethyl-4,4-dimethyl. 1-Norbornyl cyanide.

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