Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl- (CAS 58743-76-3)

InChI

InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3

InChI Key

XFMPTZWVMVMELB-UHFFFAOYSA-N

Formula

C16H15N

SMILES

CCCc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

221.30

CAS

58743-76-3

Other Names

• 4'-Propylbiphenyl-4-carbonitrile
• 4'-propyl[1,1'-biphenyl]-4-carbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	[500.48; 572.43]	J/mol×K	[730.88; 974.33]
Cp,gas	500.48	J/mol×K	730.88	Joback Calculated Property
Cp,gas	515.05	J/mol×K	771.45	Joback Calculated Property
Cp,gas	528.49	J/mol×K	812.03	Joback Calculated Property
Cp,gas	540.88	J/mol×K	852.60	Joback Calculated Property
Cp,gas	552.29	J/mol×K	893.18	Joback Calculated Property
Cp,gas	562.78	J/mol×K	933.75	Joback Calculated Property
Cp,gas	572.43	J/mol×K	974.33	Joback Calculated Property
Cp,solid	302.97	J/mol×K	298.15	NIST
ΔfusH	22.70	kJ/mol	338.77	NIST
ΔfusS	67.00	J/mol×K	338.77	NIST

Similar Compounds

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

Sources

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

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