Chemical Properties of 2,6-Dimethylbenzonitrile (CAS 6575-13-9)

2,6-Dimethylbenzonitrile

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InChI
InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChI Key
QSACPWSIIRFHHR-UHFFFAOYSA-N
Formula
C9H9N
SMILES
Cc1cccc(C)c1C#N
Molecular Weight1
131.17
CAS
6575-13-9
Other Names
  • Benzonitrile, 2,6-dimethyl-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4890.10 ± 1.00 kJ/mol NIST
Δf 251.23 kJ/mol Joback Calculated Property
Δfgas 146.20 ± 3.20 kJ/mol NIST
Δfsolid 62.30 ± 1.50 kJ/mol NIST
Δfus 13.83 kJ/mol Joback Calculated Property
Δsub 83.90 ± 2.80 kJ/mol NIST
Δsub 83.90 kJ/mol NIST
Δvap 49.71 kJ/mol Joback Calculated Property
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 307.64 K Joback Calculated Property
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
-CN 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3

Similar Compounds

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

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