Chemical Properties of 4-Cyano-4'-n-pentylbiphenyl

4-Cyano-4'-n-pentylbiphenyl

InChI
InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3
InChI Key
HHPCNRKYVYWYAU-UHFFFAOYSA-N
Formula
C18H19N
SMILES
CCCCCc1ccc(-c2ccc(C#N)cc2)cc1
Molecular Weight1
249.36
Other Names
  • 4'-n-pentyl-4-biphenylcarbonitrile
  • 4'-pentyl[1,1'-biphenyl]-4-carbonitrile
  • 4-cyano-4'-pentylbiphenyl
  • [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-
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Physical Properties

Property Value Unit Source
ω 0.6698 Relay (1.0) Calculated Property
ΔfG° 439.42 kJ/mol Joback Calculated Property
ΔfH°gas 190.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.66 kJ/mol A new approach to study interaction parameters in cyanobiphenyl liquid crystal binary systems
ΔvapH° 101.44 kJ/mol Relay (1.0) Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -6.63 Relay (1.0) Calculated Property
logPoct/wat 4.958 Crippen Calculated Property
McVol 218.340 ml/mol McGowan Calculated Property
Pc 1827.85 kPa Joback Calculated Property
Tboil 666.00 K Relay (1.0) Calculated Property
Tc 892.31 K Relay (1.0) Calculated Property
Tfus [295.70; 296.15] K Show Hide
Tfus 296.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 295.70 ± 0.20 K NIST
Vc 0.805 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [279.30; 681.31] 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-3.56860e+01
Coefficient B1.37182e+00
Coefficient C-8.52720e-04
Coefficient D1.97900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 279.30 J/mol×K 273.00 Calculated Property
Cp,gas 351.67 J/mol×K 353.78 Calculated Property
Cp,gas 415.66 J/mol×K 434.56 Calculated Property
Cp,gas 471.89 J/mol×K 515.33 Calculated Property
Cp,gas 520.98 J/mol×K 596.11 Calculated Property
Cp,gas 563.56 J/mol×K 676.89 Calculated Property
Cp,gas 600.26 J/mol×K 757.67 Calculated Property
Cp,gas 631.70 J/mol×K 838.44 Calculated Property
Cp,gas 658.51 J/mol×K 919.22 Calculated Property
Cp,gas 681.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

[1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-. 4'-OCTYL-4-BIPHENYLCARBONITRILE. 4-Nonyl-4'-cyanobiphenyl. 4'-HEPTYL-4-BIPHENYLCARBONITRILE. 4'-Undecyl-biphenyl-4-carbonitrile. Decylcyanobiphenyl. [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-. 4-N-heptylbiphenyl. [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-. Benzene, hexyl-. Benzene, pentyl-. 4-Propyl-1,1'-diphenyl. Benzene, undecyl-. Benzene, octadecyl-. Benzene, eicosyl-.

Find more compounds similar to 4-Cyano-4'-n-pentylbiphenyl.

Mixtures

Sources

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