Chemical Properties of Benzonitrile, 3-methyl- (CAS 620-22-4)

Benzonitrile, 3-methyl-

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InChI
InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChI Key
BOHCMQZJWOGWTA-UHFFFAOYSA-N
Formula
C8H7N
SMILES
Cc1cccc(C#N)c1
Molecular Weight1
117.15
CAS
620-22-4
Other Names
  • 1-Methyl-3-cyanobenzene
  • 3-Cyanotoluene
  • 3-Methylbenzonitrile
  • 3-Toluenkarbonitril
  • 3-Tolunitrile
  • MTN
  • NSC 75453
  • Nitril kyseliny m-toluylove
  • m-Cyanotoluene
  • m-Methylbenzonitrile
  • m-Toluenenitrile
  • m-Tolunitrile
  • m-Toluonitrile
  • m-Tolylnitrile
  • m-Tolynitrile
  • meta-Tolunitrile
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 [9.34; 9.66] eV Show Hide
IE 9.58 ± 0.05 eV NIST
IE 9.66 ± 0.05 eV NIST
IE 9.34 eV NIST
IE 9.40 eV NIST
logPoct/wat 1.867 Crippen Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Tboil [357.70; 487.90] K Show Hide
Tboil 487.30 ± 0.60 K NIST
Tboil 487.90 ± 0.50 K NIST
Tboil 373.20 K NIST
Tboil 357.70 K NIST
Tc 749.09 K Joback Calculated Property
Tfus 283.85 K Joback Calculated Property
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
ΔvapH 50.80 kJ/mol 394.0 NIST

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Benzonitrile, 3-methyl-.

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