Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl- (CAS 40817-08-1)

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

249.35

CAS

40817-08-1

Other Names

• 4'-n-pentyl-4-biphenylcarbonitrile
• 4'-pentyl[1,1'-biphenyl]-4-carbonitrile
• 4-cyano-4'-pentylbiphenyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.09; 684.13]	J/mol×K	[776.64; 1010.95]
Cp,gas	608.09	J/mol×K	776.64	Joback Calculated Property
Cp,gas	623.34	J/mol×K	815.69	Joback Calculated Property
Cp,gas	637.46	J/mol×K	854.74	Joback Calculated Property
Cp,gas	650.53	J/mol×K	893.79	Joback Calculated Property
Cp,gas	662.62	J/mol×K	932.84	Joback Calculated Property
Cp,gas	673.80	J/mol×K	971.90	Joback Calculated Property
Cp,gas	684.13	J/mol×K	1010.95	Joback Calculated Property

Similar Compounds

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

Mixtures

• Carbon dioxide + [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-

Sources

• Crippen Method
• Crippen Method
• A new approach to study interaction parameters in cyanobiphenyl liquid crystal binary systems
• Phase Behavior of Liquid Crystal + CO2 Mixtures
• Joback Method
• McGowan Method
• NIST Webbook

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