Chemical Properties of 1,1'-Biphenyl, 2-nitro- (CAS 86-00-0)

InChI

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

InChI Key

YOJKKXRJMXIKSR-UHFFFAOYSA-N

Formula

C12H9NO2

SMILES

O=[N+]([O-])c1ccccc1-c1ccccc1

Molecular Weight¹

199.21

CAS

86-00-0

Other Names

• Biphenyl, 2-nitro-
• o-Nitrobiphenyl
• o-Nitrodiphenyl
• Onb
• 2-Nitrobiphenyl
• 2-Nitrodiphenyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• 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	0.5233		Relay (1.0) Calculated Property
EA	1.07 ± 0.10	eV	NIST
ΔfH°gas	175.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.89	kJ/mol	Joback Calculated Property
ΔvapH°	80.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-4.05		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	[284.73; 1700.00]
Inp	1691.22		NIST
Inp	1696.33		NIST
Inp	1670.00		NIST
Inp	1698.00		NIST
Inp	1700.00		NIST
Inp	1700.00		NIST
Inp	1669.00		NIST
Inp	1669.00		NIST
Inp	1686.00		NIST
Inp	1669.00		NIST
Inp	290.25		NIST
Inp	288.70		NIST
Inp	288.56		NIST
Inp	284.73		NIST
Inp	288.54		NIST
Inp	287.61		NIST
Inp	290.25		NIST
Inp	285.80		NIST
Inp	285.80		NIST
Inp	1686.00		NIST
Inp	1669.00		NIST
Tboil	593.20	K	NIST
Tc	883.56	K	Relay (1.0) Calculated Property
Tfus	327.41	K	Relay (1.0) Calculated Property
Vc	0.530	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.77; 438.12]	J/mol×K	[684.34; 959.73]
Cp,gas	373.77	J/mol×K	684.34	Joback Calculated Property
Cp,gas	387.45	J/mol×K	730.24	Joback Calculated Property
Cp,gas	399.82	J/mol×K	776.14	Joback Calculated Property
Cp,gas	410.97	J/mol×K	822.03	Joback Calculated Property
Cp,gas	421.00	J/mol×K	867.93	Joback Calculated Property
Cp,gas	430.01	J/mol×K	913.83	Joback Calculated Property
Cp,gas	438.12	J/mol×K	959.73	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2-nitro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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