Chemical Properties of 3,4-Dimethylbenzoic acid nitrile (CAS 22884-95-3)

3,4-Dimethylbenzoic acid nitrile

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InChI
InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3
InChI Key
OWISXYQFTOYGRO-UHFFFAOYSA-N
Formula
C9H9N
SMILES
Cc1ccc(C#N)cc1C
Molecular Weight1
131.17
CAS
22884-95-3
Other Names
  • 1,2-Dimethyl-4-cyanobenzene
  • 3,4-Dimethylbenzoic acid nitrile
  • 3,4-Dimethylbenzonitrile
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
Δvap 49.71 kJ/mol Joback Calculated Property
IE 9.16 ± 0.04 eV NIST
logPoct/wat 2.175 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 338.90 ± 1.00 K NIST
Vc 0.458 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

2,4-Dimethylbenzonitrile. 2,5-Dimethylbenzonitrile. 1,2,4,5-Tetracyanobenzene. Benzene-1,2,4-tricarbonitrile. Benzonitrile, 2,4,6-trimethyl-. Benzonitrile, 3,5-dimethyl-. 3-Cyanobenzyl radical. Benzonitrile, 3-methyl-. 5-Methylisophthalonitrile. 1,3-Benzenedicarbonitrile. Benzonitrile, 2,3-dimethyl-. 2,6-Dimethylbenzonitrile. 4-Cyanobenzyl radical. Benzene, 1,2,4,5-tetramethyl-. Benzonitrile, 4-methyl-.

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