Chemical Properties of 1,1'-Biphenyl, 4,4'-dinitro-

InChI

InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H

InChI Key

BDLNCFCZHNKBGI-UHFFFAOYSA-N

Formula

C12H8N2O4

SMILES

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

Molecular Weight¹

244.21

Other Names

• Biphenyl, 4,4'-dinitro-
• 4,4'-Dinitrobiphenyl
• 4,4'-Dinitrodiphenyl
• 4,4'-Dinitrobifenyl

• 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_subH : Enthalpy of sublimation at a given temperature (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	[457.52; 505.20]	J/mol×K	[841.16; 1132.63]
Cp,gas	457.52	J/mol×K	841.16	Joback Calculated Property
Cp,gas	468.07	J/mol×K	889.74	Joback Calculated Property
Cp,gas	477.42	J/mol×K	938.32	Joback Calculated Property
Cp,gas	485.69	J/mol×K	986.90	Joback Calculated Property
Cp,gas	493.00	J/mol×K	1035.48	Joback Calculated Property
Cp,gas	499.46	J/mol×K	1084.05	Joback Calculated Property
Cp,gas	505.20	J/mol×K	1132.63	Joback Calculated Property
ΔsubH	104.60 ± 1.80	kJ/mol	434.50	NIST

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 4,4'-dinitro-.

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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