Chemical Properties of Benzonitrile, 2-methyl- (CAS 529-19-1)

Benzonitrile, 2-methyl-

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InChI
InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChI Key
NWPNXBQSRGKSJB-UHFFFAOYSA-N
Formula
C8H7N
SMILES
Cc1ccccc1C#N
Molecular Weight1
117.15
CAS
529-19-1
Other Names
  • 1-Cyano-2-methylbenzene
  • 1-Methyl-2-cyanobenzene
  • 2-Cyanotoluene
  • 2-Methylbenzenecarbonitrile
  • 2-Methylbenzonitrile
  • 2-Toluenkarbonitril
  • 2-Tolunitrile
  • NSC 66549
  • o-Cyanotoluene
  • o-Methylbenzonitrile
  • o-Toluic nitrile
  • o-Tolunitrile
  • o-Toluonitrile
  • o-Tolylnitrile
Sources

Physical Properties

Property Value Unit Source
Δf 252.44 kJ/mol Joback Calculated Property
Δfgas 181.49 kJ/mol Joback Calculated Property
Δfus 11.63 kJ/mol Joback Calculated Property
Δvap 46.82 kJ/mol Joback Calculated Property
IE 9.40 eV NIST
IE 9.38 eV NIST
logPoct/wat 1.867 Crippen Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Tboil [477.90; 478.35] K Show Hide
Tboil 478.20 K NIST
Tboil 477.90 ± 0.60 K NIST
Tboil 478.00 ± 0.50 K NIST
Tboil 478.35 ± 1.00 K NIST
Tc 749.09 K Joback Calculated Property
Tfus [260.90; 262.75] K Show Hide
Tfus 262.53 ± 0.30 K NIST
Tfus 262.75 ± 0.25 K NIST
Tfus 260.90 ± 0.35 K NIST
Tfus 261.10 ± 0.02 K NIST
Vc 0.402 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 201.15 J/mol×K 516.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH3 1
=C< (ring) 2
=CH- (ring) 4

Similar Compounds

Phthalonitrile. 2,6-Dimethylbenzonitrile. 2,4-Dimethylbenzonitrile. 2,5-Dimethylbenzonitrile. Benzonitrile, 2,3-dimethyl-. Benzonitrile, 2,4,6-trimethyl-. O-ethylbenzonitrile. 2-Cyanobenzaldehyde. Benzene-1,2,4-tricarbonitrile. 1,2,4,5-Tetracyanobenzene. Benzonitrile. 3,4-Dimethylbenzoic acid nitrile. 3-Cyanobenzyl radical. Benzonitrile, 3-methyl-. Benzonitrile, 3,5-dimethyl-.

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