Chemical Properties of [1,1'-Biphenyl]-4,4'-dicarbonitrile (CAS 1591-30-6)

[1,1'-Biphenyl]-4,4'-dicarbonitrile

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
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Physical Properties

Property Value Unit Source
ω 0.5610 Relay (1.0) Calculated Property
ΔfG° 538.92 kJ/mol Joback Calculated Property
ΔfH°gas 440.53 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 22.33 kJ/mol Joback Calculated Property
ΔvapH° 97.95 kJ/mol Relay (1.0) Calculated Property
IE 10.40 eV NIST
log10WS -5.09 Relay (1.0) Calculated Property
logPoct/wat 3.097 Crippen Calculated Property
McVol 163.360 ml/mol McGowan Calculated Property
Pc 2550.76 kPa Joback Calculated Property
Tboil 635.96 K Relay (1.0) Calculated Property
Tc 900.68 K Relay (1.0) Calculated Property
Tfus 457.67 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [195.82; 451.43] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.50500e+01
Coefficient B9.26600e-01
Coefficient C-6.04120e-04
Coefficient D1.44000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 195.82 J/mol×K 273.00 Calculated Property
Cp,gas 243.53 J/mol×K 353.78 Calculated Property
Cp,gas 285.34 J/mol×K 434.56 Calculated Property
Cp,gas 321.73 J/mol×K 515.33 Calculated Property
Cp,gas 353.14 J/mol×K 596.11 Calculated Property
Cp,gas 380.02 J/mol×K 676.89 Calculated Property
Cp,gas 402.84 J/mol×K 757.67 Calculated Property
Cp,gas 422.04 J/mol×K 838.44 Calculated Property
Cp,gas 438.09 J/mol×K 919.22 Calculated Property
Cp,gas 451.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-BIPHENYLCARBONITRILE. 4,4'-Dimethylbiphenyl. 4-Cyano-4'-hydroxybiphenyl. 1,1'-Biphenyl, 4-methyl-. [1,1'-Biphenyl]-2-carbonitrile. Azulene,6-methyl-. [1,1'-Biphenyl]-2,2'-dicarbonitrile. [1,1'-Biphenyl]-4-carboxaldehyde. 1,1':3',1''-Terphenyl, 4,4''-dimethyl-5'-(4-methylphenyl)-. 1,1'-Biphenyl, 4-(chloromethyl)-. Benzonitrile, 2-(4-methylphenyl)-. 1,1'-Biphenyl, 4-bromo-4'-methyl-. Biphenyl, 4-(bromomethyl)-. 1,1'-Biphenyl, 3,4'-dimethyl-. 1,1'-Biphenyl, 3-methyl-.

Find more compounds similar to [1,1'-Biphenyl]-4,4'-dicarbonitrile.

Sources

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