Chemical Properties of [1,1'-Biphenyl]-2,2'-dicarbonitrile (CAS 4341-02-0)

[1,1'-Biphenyl]-2,2'-dicarbonitrile

InChI
InChI=1S/C14H8N2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8H
InChI Key
XDQREGRMKWTMOO-UHFFFAOYSA-N
Formula
C14H8N2
SMILES
N#Cc1ccccc1-c1ccccc1C#N
Molecular Weight1
204.23
CAS
4341-02-0
Other Names
  • 2,2'-Dicyanobiphenyl
  • Diphenonitrile
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5472 Relay (1.0) Calculated Property
ΔfG° 538.92 kJ/mol Joback Calculated Property
ΔfH°gas 436.71 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 22.33 kJ/mol Joback Calculated Property
ΔvapH° 93.02 kJ/mol Relay (1.0) Calculated Property
IE 9.15 eV Relay (1.0) Calculated Property
log10WS -4.68 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 626.13 K Relay (1.0) Calculated Property
Tc 908.13 K Relay (1.0) Calculated Property
Tfus 403.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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

[1,1'-Biphenyl]-2-carbonitrile. Benzonitrile, 2-(4-methylphenyl)-. 2,2'-Dimethylbiphenyl. 1,1'-Biphenyl, 2-methyl-. 1,1'-Biphenyl, 2,4'-dimethyl-. 4-BIPHENYLCARBONITRILE. 1,1'-Biphenyl, 2,3'-dimethyl-. 1,4-Dimethylazulene. 1,1'-Biphenyl, 2,5-dimethyl-. 1,1'-Biphenyl, 2,6-dimethyl-. Azulene,1-methyl-. 1,1'-Biphenyl, 2,2',5,5'-tetramethyl-. [1,1'-Biphenyl]-4,4'-dicarbonitrile. (1,1'-Biphenyl)-2,2'-dicarboxaldehyde. 1,1'-Biphenyl, 2,4-dimethyl-.

Find more compounds similar to [1,1'-Biphenyl]-2,2'-dicarbonitrile.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.