Chemical Properties of 2,4-Dimethylbenzonitrile (CAS 21789-36-6)

2,4-Dimethylbenzonitrile

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InChI
InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3
InChI Key
QLZDTHTXOUOSCV-UHFFFAOYSA-N
Formula
C9H9N
SMILES
Cc1ccc(C#N)c(C)c1
Molecular Weight1
131.17
CAS
21789-36-6
Other Names
  • 2,6-Dimethylbenzonitrile
  • Benzonitrile, 2,4-dimethyl-
Sources

Physical Properties

Property Value Unit Source
Δf 251.23 kJ/mol Joback Calculated Property
Δfgas 149.38 kJ/mol Joback Calculated Property
Δfus 13.83 kJ/mol Joback Calculated Property
Δsub 83.90 ± 2.80 kJ/mol NIST
Δvap 49.71 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 3065.95 kPa Joback Calculated Property
Tboil 544.04 K Joback Calculated Property
Tc 773.77 K Joback Calculated Property
Tfus 297.10 ± 1.00 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 242.78 J/mol×K 544.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH3 2
-CN 1
=CH- (ring) 3

Similar Compounds

Benzonitrile, 2,4,6-trimethyl-. 2,5-Dimethylbenzonitrile. 1,2,4,5-Tetracyanobenzene. Benzene-1,2,4-tricarbonitrile. 3,4-Dimethylbenzoic acid nitrile. 2,6-Dimethylbenzonitrile. Benzonitrile, 2-methyl-. Benzonitrile, 2,3-dimethyl-. Phthalonitrile. 2,4,6-Trimethylbenzonitrile, N-oxide. Benzene, 2,4-diisocyanato-1-methyl- and benzene, 2,6-diisocyanato-1-methyl-. Benzonitrile, 3,5-dimethyl-. 3-Cyanobenzyl radical. Benzonitrile, 3-methyl-. 5-Methylisophthalonitrile.

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