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

InChI

InChI=1S/C16H11N3O4/c17-10-16(12-3-7-14(8-4-12)19(22)23)9-15(16)11-1-5-13(6-2-11)18(20)21/h1-8,15H,9H2

InChI Key

QMOQSTMQXUSYQB-UHFFFAOYSA-N

Formula

C16H11N3O4

SMILES

N#CC1(c2ccc([N+](=O)[O-])cc2)CC1c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

309.28

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[266.10; 664.32]	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			-1.17180e+02
Coefficient B			1.79682e+00
Coefficient C			-1.59812e-03
Coefficient D			5.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.10	J/mol×K	273.00	Calculated Property
Cp,gas	344.28	J/mol×K	353.78	Calculated Property
Cp,gas	409.68	J/mol×K	434.56	Calculated Property
Cp,gas	464.13	J/mol×K	515.33	Calculated Property
Cp,gas	509.49	J/mol×K	596.11	Calculated Property
Cp,gas	547.59	J/mol×K	676.89	Calculated Property
Cp,gas	580.28	J/mol×K	757.67	Calculated Property
Cp,gas	609.41	J/mol×K	838.44	Calculated Property
Cp,gas	636.80	J/mol×K	919.22	Calculated Property
Cp,gas	664.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• 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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