Chemical Properties of 4'-BUTOXY-4-BIPHENYLCARBONITRILE

InChI

InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3

InChI Key

KPQVQWUNELODQE-UHFFFAOYSA-N

Formula

C17H17NO

SMILES

CCCCOc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

251.33

Other Names

• 4'-Butoxy-4-biphenylcarbonitrile
• 4'-n-Butyloxy-4-cyanobiphenyl
• 4-Cyano-4'-n-butoxybiphenyl
• 4'-butoxy[1,1'-biphenyl]-4-carbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_c : Critical 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 Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.98; 650.88]	J/mol×K	[776.18; 1011.57]
Cp,gas	579.98	J/mol×K	776.18	Joback Calculated Property
Cp,gas	594.46	J/mol×K	815.41	Joback Calculated Property
Cp,gas	607.81	J/mol×K	854.64	Joback Calculated Property
Cp,gas	620.08	J/mol×K	893.88	Joback Calculated Property
Cp,gas	631.31	J/mol×K	933.11	Joback Calculated Property
Cp,gas	641.56	J/mol×K	972.34	Joback Calculated Property
Cp,gas	650.88	J/mol×K	1011.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4'-BUTOXY-4-BIPHENYLCARBONITRILE.

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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