Chemical Properties of Benzenamine, 2-nitro-N-phenyl- (CAS 119-75-5)

InChI

InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H

InChI Key

RUKISNQKOIKZGT-UHFFFAOYSA-N

Formula

C12H10N2O2

SMILES

O=[N+]([O-])c1ccccc1Nc1ccccc1

Molecular Weight¹

214.22

CAS

119-75-5

Other Names

• 2-Nitro-N-phenylaniline
• 2-nitrodiphenylamine
• C.I. 10335
• Diphenylamine, 2-nitro-
• N-Phenyl-2-nitrobenzenamine
• N-Phenyl-o-Nitroaniline
• NSC 105613
• Sudan Yellow 1339
• benzeneamine, 2-nitro-N-phenyl-
• o-(Phenylamino)nitrobenzene
• o-Nitro-N-phenylaniline
• o-Nitrodiphenylamine
• phenyl-2-nitrophenylamine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-6228.00; -6215.80]	kJ/mol
ΔcH°solid	-6228.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	-6215.80 ± 6.30	kJ/mol	NIST
ΔfH°gas	163.57	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[64.50; 77.00]	kJ/mol
ΔfH°solid	77.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	64.50 ± 6.30	kJ/mol	NIST
ΔfusH°	26.14	kJ/mol	Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
ΔvapH°	88.40	kJ/mol	Relay (1.0) Calculated Property
IE	7.67	eV	Relay (1.0) Calculated Property
log10WS	-4.17		Relay (1.0) Calculated Property
logPoct/wat	3.338		Crippen Calculated Property
McVol	159.820	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Inp	[335.70; 1886.00]
Inp	1886.00		NIST
Inp	335.70		NIST
Inp	335.70		NIST
Tboil	620.89	K	Relay (1.0) Calculated Property
Tc	955.05	K	Relay (1.0) Calculated Property
Tfus	[347.90; 348.15]	K
Tfus	347.90	K	Experimental and modeling studies of binary organic eutectic systems to be used as stabilizers for nitrate esters-based energetic materials
Tfus	348.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	347.90 ± 0.30	K	NIST
Tfus	348.10 ± 0.20	K	NIST
Tfus	348.10 ± 0.15	K	NIST

Cheméo can also estimate 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.44; 481.45]	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			-5.72500e+01
Coefficient B			1.10206e+00
Coefficient C			-7.51360e-04
Coefficient D			1.88000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.44	J/mol×K	273.00	Calculated Property
Cp,gas	246.92	J/mol×K	353.78	Calculated Property
Cp,gas	295.20	J/mol×K	434.56	Calculated Property
Cp,gas	336.87	J/mol×K	515.33	Calculated Property
Cp,gas	372.53	J/mol×K	596.11	Calculated Property
Cp,gas	402.77	J/mol×K	676.89	Calculated Property
Cp,gas	428.19	J/mol×K	757.67	Calculated Property
Cp,gas	449.38	J/mol×K	838.44	Calculated Property
Cp,gas	466.93	J/mol×K	919.22	Calculated Property
Cp,gas	481.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-nitro-N-phenyl-.

Mixtures

• Benzenamine, 2-nitro-N-phenyl- + N,N-DIETHYLCARBANILIDE

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental and modeling studies of binary organic eutectic systems to be used as stabilizers for nitrate esters-based energetic materials
• Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
• Joback Method
• McGowan Method
• NIST Webbook

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