Chemical Properties of 4'-HEXYLOXY-4-BIPHENYLCARBONITRILE

InChI

InChI=1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3

InChI Key

YUYXUPYNSOFWFV-UHFFFAOYSA-N

Formula

C19H21NO

SMILES

CCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

279.38

Other Names

• 4'-(hexyloxy)[1,1'-biphenyl]-4-carbonitrile

• 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	[315.91; 751.41]	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			-1.10950e+01
Coefficient B			1.40362e+00
Coefficient C			-7.96120e-04
Coefficient D			1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.91	J/mol×K	273.00	Calculated Property
Cp,gas	392.70	J/mol×K	353.78	Calculated Property
Cp,gas	461.24	J/mol×K	434.56	Calculated Property
Cp,gas	522.03	J/mol×K	515.33	Calculated Property
Cp,gas	575.55	J/mol×K	596.11	Calculated Property
Cp,gas	622.31	J/mol×K	676.89	Calculated Property
Cp,gas	662.78	J/mol×K	757.67	Calculated Property
Cp,gas	697.46	J/mol×K	838.44	Calculated Property
Cp,gas	726.84	J/mol×K	919.22	Calculated Property
Cp,gas	751.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4'-HEXYLOXY-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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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