Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy- (CAS 52709-87-2)

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

251.32

CAS

52709-87-2

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_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	[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 [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.