Chemical Properties of [1,1'-Biphenyl]-4-carbonitrile, 4-(pentyloxy)-

InChI

InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3

InChI Key

RDISTOCQRJJICR-UHFFFAOYSA-N

Formula

C18H19NO

SMILES

CCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

Molecular Weight¹

265.36

Other Names

• 4'-(pentyloxy)[1,1'-biphenyl]-4-carbonitrile
• 4'-pentoxy-4-cyanobiphenyl

• 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).
• T_fus : Melting point (K).
• T_triple : Triple Point Temperature (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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.90; 707.31]	J/mol×K	[799.06; 1030.58]
Cp,gas	634.90	J/mol×K	799.06	Joback Calculated Property
Cp,gas	649.65	J/mol×K	837.65	Joback Calculated Property
Cp,gas	663.26	J/mol×K	876.23	Joback Calculated Property
Cp,gas	675.78	J/mol×K	914.82	Joback Calculated Property
Cp,gas	687.26	J/mol×K	953.40	Joback Calculated Property
Cp,gas	697.76	J/mol×K	991.99	Joback Calculated Property
Cp,gas	707.31	J/mol×K	1030.58	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus	[326.84; 330.08]	K	[399.00; 10005.00]
Tfus	326.84	K	399.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	327.21	K	1399.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	327.52	K	2400.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	327.72	K	3001.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	327.86	K	3400.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	328.20	K	4401.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	328.54	K	5401.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	328.84	K	6402.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	329.23	K	7403.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	329.55	K	8403.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	329.86	K	9405.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
Tfus	330.08	K	10005.00	Phase behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2

Similar Compounds

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

Mixtures

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

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 behaviour of the system 4'-pentyloxy-4-cyanobiphenyl + CO2
• Anchoring transition driven by short range ordering in calamitic-discotic composites
• Joback Method
• McGowan Method
• NIST Webbook

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