Chemical Properties of Methyl(1,1,2-trimethylpropyl)malononitrile (CAS 85688-96-6)

Methyl(1,1,2-trimethylpropyl)malononitrile

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InChI
InChI=1S/C10H16N2/c1-8(2)9(3,4)10(5,6-11)7-12/h8H,1-5H3
InChI Key
ZMCKYPPOTHYZAA-UHFFFAOYSA-N
Formula
C10H16N2
SMILES
CC(C)C(C)(C)C(C)(C#N)C#N
Molecular Weight1
164.25
CAS
85688-96-6
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6239.01 ± 0.63 kJ/mol NIST
Δf 302.92 kJ/mol Joback Calculated Property
Δfgas 79.33 ± 0.96 kJ/mol NIST
Δfsolid 17.30 ± 0.63 kJ/mol NIST
Δfus 6.32 kJ/mol Joback Calculated Property
Δsub 62.05 ± 0.71 kJ/mol NIST
Δsub 62.00 kJ/mol NIST
Δsub 62.00 ± 0.70 kJ/mol NIST
Δvap 55.83 kJ/mol Joback Calculated Property
logPoct/wat 2.72 Crippen Calculated Property
Pc 2100.34 kPa Joback Calculated Property
Tboil 625.46 K Joback Calculated Property
Tc 848.98 K Joback Calculated Property
Tfus 322.28 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 396.73 J/mol×K 625.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CN 2
-CH3 5
>C< 2

Similar Compounds

Ethyl(1,1-dimethylpropyl)malononitrile. Meso-2,3-diethyl-2,3-dimethylsuccinonitrile. Tetraisobutylsucccinonitrile. 1,1,2,2-Cyclopropane-tetracarbonitrile. Tetracyclopropylsuccinonitrile. t-Butylmalononitrile. Tetramethylbutanedinitrile. Pentane, 2,2,3,3,4-pentamethyl-. Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile. 1-Adamantane carbonitrile. Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«beta»,3«beta»,4«alpha»)- (exo,exo). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«beta»,4«alpha»)- (endo,exo). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«beta»,3«alpha»,4«alpha»)- (exo,endo). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo). Hexane, 2,3,4,4-tetramethyl-.

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