Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)- (CAS 52364-72-4)

InChI

InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3

InChI Key

JPBFKTCKZLMJED-UHFFFAOYSA-N

Formula

C20H23NO

SMILES

CCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

293.40

CAS

52364-72-4

Other Names

• 4'-(heptyloxy)-4-biphenylcarbonitrile
• 4'-(heptyloxy)[1,1'-biphenyl]-4-carbonitrile
• 4-cyano-4'-heptyloxybiphenyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.13; 803.00]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.20040e+01
Coefficient B			1.49862e+00
Coefficient C			-8.50520e-04
Coefficient D			1.66900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.13	J/mol×K	273.00	Calculated Property
Cp,gas	419.11	J/mol×K	353.78	Calculated Property
Cp,gas	492.31	J/mol×K	434.56	Calculated Property
Cp,gas	557.25	J/mol×K	515.33	Calculated Property
Cp,gas	614.46	J/mol×K	596.11	Calculated Property
Cp,gas	664.47	J/mol×K	676.89	Calculated Property
Cp,gas	707.79	J/mol×K	757.67	Calculated Property
Cp,gas	744.97	J/mol×K	838.44	Calculated Property
Cp,gas	776.53	J/mol×K	919.22	Calculated Property
Cp,gas	803.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)-.

Mixtures

• [1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)- + Carbon dioxide

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
• Phase Behavior of Liquid Crystal + CO2 Mixtures
• 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.
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