Chemical Properties of 4,4'-Dicyanobiphenyl (CAS 1591-30-6)

4,4'-Dicyanobiphenyl

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InChI
InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
InChI Key
KAXYYLCSSXFXKR-UHFFFAOYSA-N
Formula
C14H8N2
SMILES
N#Cc1ccc(-c2ccc(C#N)cc2)cc1
Molecular Weight1
204.23
CAS
1591-30-6
Other Names
  • 4,4'-Biphenyldicarbonitrile
  • 4,4'-Dicyanobiphenyl
  • 4,4'-Dicyanodiphenyl
  • 4,4'-Diphenyldicarbonitrile
Sources

Physical Properties

Property Value Unit Source
Δf 538.92 kJ/mol Joback Calculated Property
Δfgas 447.59 kJ/mol Joback Calculated Property
Δfus 22.33 kJ/mol Joback Calculated Property
Δvap 73.59 kJ/mol Joback Calculated Property
IE 10.40 eV NIST
logPoct/wat 3.10 Crippen Calculated Property
Pc 2550.76 kPa Joback Calculated Property
Tboil 787.20 K Joback Calculated Property
Tc 1051.08 K Joback Calculated Property
Tfus 455.40 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 410.25 J/mol×K 787.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 2
=CH- (ring) 8
=C< (ring) 4

Similar Compounds

4-Biphenylcarbonitrile. [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-. 1,1'-Biphenyl, 4-methyl-. 4,4'-Dimethylbiphenyl. 4-Cyano-4'-hydroxybiphenyl. 4'-Propylbiphenyl-4-carbonitrile. [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-. [1,1'-Biphenyl]-4-carboxaldehyde. Azulene,6-methyl-. Biphenyl, 4-(chloromethyl)-. 4-Vinyl biphenyl. 1,1'-Biphenyl, 3,4'-dimethyl-. [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-. 4,4'-Diethylbiphenyl. 4-Ethylbiphenyl.

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