Chemical Properties of Acetonitrile, 2-(3-cyanophenyl)- (CAS 16532-78-8)

Acetonitrile, 2-(3-cyanophenyl)-

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InChI
InChI=1S/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2
InChI Key
OQKZSMMMKYJQJP-UHFFFAOYSA-N
Formula
C9H6N2
SMILES
N#CCc1cccc(C#N)c1
Molecular Weight1
142.16
CAS
16532-78-8
Other Names
  • Benzeneacetonitrile, 3-cyano-
Sources

Physical Properties

Property Value Unit Source
Δf 394.04 kJ/mol Joback Calculated Property
Δfgas 325.73 kJ/mol Joback Calculated Property
Δfus 15.73 kJ/mol Joback Calculated Property
Δvap 59.52 kJ/mol Joback Calculated Property
logPoct/wat 1.62 Crippen Calculated Property
Pc 3032.27 kPa Joback Calculated Property
Tboil 641.14 K Joback Calculated Property
Tc 884.33 K Joback Calculated Property
Tfus 360.11 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 258.23 J/mol×K 641.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 2
-CH2- 1
=CH- (ring) 4
=C< (ring) 2

Similar Compounds

3-Tolylacetic acid nitrile. 3,5-Dimethylphenylacetonitrile. 1,3-Benzenediacetonitrile. 1-(3-Cyanophenyl)-2-phenylethane. Benzeneacetonitrile, 4-cyano-. 2,5-Dimethylbenzyl cyanide. Vinylphenylacetonitrile. 3-CN-C6H4-COCH3. Benzeneacetonitrile, 2-cyano-. 2,4,5-Trimethylphenylacetonitrile. Benzene, 1-ethyl-3-methyl-. 3-Cyanobenzyl radical. Benzonitrile, 3-methyl-. Benzene, 1-ethyl-3,5-dimethyl-. 1,3-Benzenedicarbonitrile.

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