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

InChI

InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChI Key

BAJQRLZAPXASRD-UHFFFAOYSA-N

Formula

C12H9NO2

SMILES

O=[N+]([O-])c1ccc(-c2ccccc2)cc1

Molecular Weight¹

199.21

Other Names

• 1-Nitro-4-phenylbenzene
• 4-Nitrodiphenyl
• 4-Phenylnitrobenzene
• 4-nitro-1,1'-biphenyl
• 4-nitrobiphenyl
• Ba 2794
• NSC 1324
• PNB
• biphenyl, 4-nitro-
• p-Nitrobiphenyl
• p-Nitrodiphenyl
• p-Phenylnitrobenzene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5408		Relay (1.0) Calculated Property
ΔcH°solid	-6048.80 ± 6.30	kJ/mol	NIST
EA	1.20 ± 0.10	eV	NIST
ΔfG°	300.90	kJ/mol	Joback Calculated Property
ΔfH°gas	172.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.89	kJ/mol	Joback Calculated Property
ΔvapH°	90.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	3.262		Crippen Calculated Property
McVol	149.840	ml/mol	McGowan Calculated Property
Pc	3415.86	kPa	Joback Calculated Property
Inp	[312.30; 1856.00]
Inp	1816.00		NIST
Inp	1856.00		NIST
Inp	1834.00		NIST
Inp	1832.00		NIST
Inp	1839.00		NIST
Inp	1834.00		NIST
Inp	313.20		NIST
Inp	312.68		NIST
Inp	312.72		NIST
Inp	313.14		NIST
Inp	313.35		NIST
Inp	314.59		NIST
Inp	312.30		NIST
Inp	1834.00		NIST
Inp	1839.00		NIST
Inp	312.30		NIST
Inp	313.20		NIST
Inp	314.59		NIST
Tboil	608.20	K	Relay (1.0) Calculated Property
Tc	883.19	K	Relay (1.0) Calculated Property
Tfus	392.21	K	Relay (1.0) Calculated Property
Vc	0.534	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Psub	[5.00e-05; 0.02]	kPa	[323.15; 380.15]
Psub	5.00e-05	kPa	323.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	1.58e-04	kPa	333.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	4.85e-04	kPa	343.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	1.41e-03	kPa	353.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	3.72e-03	kPa	363.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
Psub	0.02	kPa	380.15	Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.26; 444.56]	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			-5.60400e+01
Coefficient B			1.02586e+00
Coefficient C			-7.02760e-04
Coefficient D			1.77500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.26	J/mol×K	273.00	Calculated Property
Cp,gas	226.79	J/mol×K	353.78	Calculated Property
Cp,gas	271.61	J/mol×K	434.56	Calculated Property
Cp,gas	310.28	J/mol×K	515.33	Calculated Property
Cp,gas	343.36	J/mol×K	596.11	Calculated Property
Cp,gas	371.41	J/mol×K	676.89	Calculated Property
Cp,gas	395.00	J/mol×K	757.67	Calculated Property
Cp,gas	414.68	J/mol×K	838.44	Calculated Property
Cp,gas	431.01	J/mol×K	919.22	Calculated Property
Cp,gas	444.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
• Joback Method
• McGowan Method
• NIST Webbook

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