Chemical Properties of Tetramethylbutanedinitrile (CAS 3333-52-6)

Tetramethylbutanedinitrile

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InChI
InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
InChI Key
ZVQXQPNJHRNGID-UHFFFAOYSA-N
Formula
C8H12N2
SMILES
CC(C)(C#N)C(C)(C)C#N
Molecular Weight1
136.19
CAS
3333-52-6
Other Names
  • 2,2,3,3-Tetramethylbutanedinitrile
  • 2,3-Dicyano-2,3-dimethylbutane
  • Butanedinitrile, 2,2,3,3-tetramethyl-
  • Butanedinitrile, tetramethyl-
  • NSC 39746
  • Succinonitrile, tetramethyl-
  • TMSN
  • Tetramethylsuccinic acid dinitrile
  • Tetramethylsuccinodinitrile
  • Tetramethylsuccinonitrile
  • Tetramethylsuccinotrile
  • Tetramethylsukcinonitril
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4878.00 ± 1.30 kJ/mol NIST
Δf 288.52 kJ/mol Joback Calculated Property
Δfgas 100.60 kJ/mol NIST
Δfgas 101.00 ± 2.00 kJ/mol NIST
Δfsolid 14.90 ± 1.30 kJ/mol NIST
Δfsolid 19.90 ± 0.63 kJ/mol NIST
Δfus 4.66 kJ/mol Joback Calculated Property
Δsub [81.00; 85.70] kJ/mol Show Hide
Δsub 85.69 kJ/mol NIST
Δsub 85.70 kJ/mol NIST
Δsub 81.00 ± 2.00 kJ/mol NIST
Δsub 81.10 kJ/mol NIST
Δvap 51.77 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2505.01 kPa Joback Calculated Property
Tboil 580.14 K Joback Calculated Property
Tc 807.41 K Joback Calculated Property
Tfus 442.20 ± 2.00 K NIST
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 302.92 J/mol×K 580.14 Joback Calculated Property
ΔfusH 18.10 kJ/mol 345.0 NIST
ΔfusH 7.15 kJ/mol 442.0 NIST
ΔfusS 52.48 J/mol×K 345.0 NIST
ΔfusS 16.17 J/mol×K 442.0 NIST

Molecular Descriptors

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

Similar Compounds

t-Butylmalononitrile. Meso-2,3-diethyl-2,3-dimethylsuccinonitrile. Methyl(1,1,2-trimethylpropyl)malononitrile. Ethyl(1,1-dimethylpropyl)malononitrile. 1,1,2,2-Cyclopropane-tetracarbonitrile. Tetraisobutylsucccinonitrile. 1,2-Cyclobutanedicarbonitrile, trans. Butanenitrile, 2-methyl-. Butane, 2,2,3,3-tetramethyl-. Butanenitrile, 3-methyl-. Tetracyclopropylsuccinonitrile. Cyclobutanecarbonitrile. Pentanedinitrile, 2-methyl-. Butane, 2,2,3-trimethyl-. Propanenitrile, 2,2-dimethyl-.

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