Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-

[1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-

InChI
InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
InChI Key
PJPLBHHDTUICNN-UHFFFAOYSA-N
Formula
C17H17N
SMILES
CCCCc1ccc(-c2ccc(C#N)cc2)cc1
Molecular Weight1
235.33
Other Names
  • 4'-butyl[1,1'-biphenyl]-4-carbonitrile
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Physical Properties

Property Value Unit Source
ω 0.6257 Relay (1.0) Calculated Property
ΔfG° 431.00 kJ/mol Joback Calculated Property
ΔfH°gas 211.28 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.60 kJ/mol Joback Calculated Property
ΔvapH° 98.12 kJ/mol Relay (1.0) Calculated Property
IE 8.93 eV Relay (1.0) Calculated Property
log10WS -6.23 Relay (1.0) Calculated Property
logPoct/wat 4.568 Crippen Calculated Property
McVol 204.250 ml/mol McGowan Calculated Property
Pc 1987.66 kPa Joback Calculated Property
Tboil 655.68 K Relay (1.0) Calculated Property
Tc 881.34 K Relay (1.0) Calculated Property
Tfus 319.70 ± 0.20 K NIST
Vc 0.750 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [258.08; 629.72] 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-3.47770e+01
Coefficient B1.27682e+00
Coefficient C-7.98320e-04
Coefficient D1.86000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 258.08 J/mol×K 273.00 Calculated Property
Cp,gas 325.25 J/mol×K 353.78 Calculated Property
Cp,gas 384.58 J/mol×K 434.56 Calculated Property
Cp,gas 436.66 J/mol×K 515.33 Calculated Property
Cp,gas 482.07 J/mol×K 596.11 Calculated Property
Cp,gas 521.40 J/mol×K 676.89 Calculated Property
Cp,gas 555.24 J/mol×K 757.67 Calculated Property
Cp,gas 584.19 J/mol×K 838.44 Calculated Property
Cp,gas 608.82 J/mol×K 919.22 Calculated Property
Cp,gas 629.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Cyano-4'-n-pentylbiphenyl. [1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-. 4'-Undecyl-biphenyl-4-carbonitrile. Decylcyanobiphenyl. 4'-OCTYL-4-BIPHENYLCARBONITRILE. 4-Nonyl-4'-cyanobiphenyl. 4'-HEPTYL-4-BIPHENYLCARBONITRILE. 4-N-heptylbiphenyl. [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-. 4-Propyl-1,1'-diphenyl. 4-Butylbenzonitrile. Benzene, n-butyl-. Benzene, 1,4-dibutyl. Benzene, 1-butyl-4-propyl. Benzene, hexyl-.

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

Sources

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