Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl- (CAS 41122-70-7)

InChI

InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3

InChI Key

VADSDVGLFDVIMG-UHFFFAOYSA-N

Formula

C19H21N

SMILES

CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

263.38

CAS

41122-70-7

Other Names

• 1,1'-Biphenyl, 4-cyano-4'-hexyl-
• 4'-hexyl[1,1'-biphenyl]-4-carbonitrile

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.52; 741.13]	J/mol×K	[799.52; 1030.04]
Cp,gas	663.52	J/mol×K	799.52	Joback Calculated Property
Cp,gas	679.02	J/mol×K	837.94	Joback Calculated Property
Cp,gas	693.40	J/mol×K	876.36	Joback Calculated Property
Cp,gas	706.73	J/mol×K	914.78	Joback Calculated Property
Cp,gas	719.08	J/mol×K	953.20	Joback Calculated Property
Cp,gas	730.52	J/mol×K	991.62	Joback Calculated Property
Cp,gas	741.13	J/mol×K	1030.04	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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