Chemical Properties of Cyclopropanecarbonitrile, 1-(p-nitrophenyl)-2-phenyl-

InChI

InChI=1S/C16H12N2O2/c17-11-16(10-15(16)12-4-2-1-3-5-12)13-6-8-14(9-7-13)18(19)20/h1-9,15H,10H2

InChI Key

AVYTZYMHDAMJRD-UHFFFAOYSA-N

Formula

C16H12N2O2

SMILES

N#CC1(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1

Molecular Weight¹

264.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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, 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	[581.09; 685.40]	J/mol×K	[880.25; 1163.98]
Cp,gas	581.09	J/mol×K	880.25	Joback Calculated Property
Cp,gas	596.68	J/mol×K	927.54	Joback Calculated Property
Cp,gas	612.49	J/mol×K	974.83	Joback Calculated Property
Cp,gas	628.90	J/mol×K	1022.12	Joback Calculated Property
Cp,gas	646.27	J/mol×K	1069.40	Joback Calculated Property
Cp,gas	664.98	J/mol×K	1116.69	Joback Calculated Property
Cp,gas	685.40	J/mol×K	1163.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarbonitrile, 1-(p-nitrophenyl)-2-phenyl-.

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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