Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- (CAS 52364-73-5)

InChI

InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3

InChI Key

GPGGNNIMKOVSAG-UHFFFAOYSA-N

Formula

C21H25NO

SMILES

CCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

307.43

CAS

52364-73-5

Other Names

• 4'-(Octyloxy)-4-biphenylcarbonitrile
• 4'-(Octyloxy)-4-cyanobiphenyl
• 4'-(n-Octyloxy)-4-cyanobiphenyl
• 4'-(octyloxy)[1,1'-biphenyl]-4-carbonitrile
• 4-(4-Octyloxyphenyl)benzonitrile
• 4-(Octyloxy)-4'-cyanobiphenyl
• 4-Cyano-4'-(n-octyloxy)biphenyl
• 4-Cyano-4'-(octyloxy)-1,1'-biphenyl
• 4-Cyano-4'-octoxybiphenyl
• 8OCB
• M 24
• M 24 (liquid crystal)
• Octyloxycyanobiphenyl
• p-(Octyloxy)-p'-cyanobiphenyl
• p-Cyano-p'-(octyloxy)biphenyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.34; 854.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.29130e+01
Coefficient B			1.59362e+00
Coefficient C			-9.04920e-04
Coefficient D			1.78800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.34	J/mol×K	273.00	Calculated Property
Cp,gas	445.53	J/mol×K	353.78	Calculated Property
Cp,gas	523.39	J/mol×K	434.56	Calculated Property
Cp,gas	592.48	J/mol×K	515.33	Calculated Property
Cp,gas	653.37	J/mol×K	596.11	Calculated Property
Cp,gas	706.63	J/mol×K	676.89	Calculated Property
Cp,gas	752.81	J/mol×K	757.67	Calculated Property
Cp,gas	792.49	J/mol×K	838.44	Calculated Property
Cp,gas	826.22	J/mol×K	919.22	Calculated Property
Cp,gas	854.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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