Chemical Properties of Benzonitrile, 3,5-dimethyl- (CAS 22445-42-7)

Benzonitrile, 3,5-dimethyl-

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InChI
InChI=1S/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,1-2H3
InChI Key
YFKRLZLGVDDKAL-UHFFFAOYSA-N
Formula
C9H9N
SMILES
Cc1cc(C)cc(C#N)c1
Molecular Weight1
131.17
CAS
22445-42-7
Other Names
  • 3,5-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
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 307.64 K Joback Calculated Property
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

3-Cyanobenzyl radical. Benzonitrile, 3-methyl-. 5-Methylisophthalonitrile. 1,3-Benzenedicarbonitrile. 3,4-Dimethylbenzoic acid nitrile. 2,5-Dimethylbenzonitrile. 3-Cyanobenzaldehyde. Benzonitrile, 2,3-dimethyl-. Benzonitrile. Benzonitrile, 3-(bromomethyl)-. 2,4-Dimethylbenzonitrile. 2,6-Dimethylbenzonitrile. Benzene-1,2,4-tricarbonitrile. 1,2,4,5-Tetracyanobenzene. Benzonitrile, 4-methyl-.

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