Chemical Properties of Cyclopropanecarbonitrile, 1-(p-chlorophenyl)-2-(p-methoxyphenyl)-

InChI

InChI=1S/C17H14ClNO/c1-20-15-8-2-12(3-9-15)16-10-17(16,11-19)13-4-6-14(18)7-5-13/h2-9,16H,10H2,1H3

InChI Key

UKBFLNJUMCRCGX-UHFFFAOYSA-N

Formula

C17H14ClNO

SMILES

COc1ccc(C2CC2(C#N)c2ccc(Cl)cc2)cc1

Molecular Weight¹

283.76

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[585.97; 678.19]	J/mol×K	[815.92; 1076.27]
Cp,gas	585.97	J/mol×K	815.92	Joback Calculated Property
Cp,gas	601.38	J/mol×K	859.31	Joback Calculated Property
Cp,gas	616.43	J/mol×K	902.70	Joback Calculated Property
Cp,gas	631.39	J/mol×K	946.10	Joback Calculated Property
Cp,gas	646.51	J/mol×K	989.49	Joback Calculated Property
Cp,gas	662.02	J/mol×K	1032.88	Joback Calculated Property
Cp,gas	678.19	J/mol×K	1076.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarbonitrile, 1-(p-chlorophenyl)-2-(p-methoxyphenyl)-.

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

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