Chemical Properties of 4-nitro-o-toluidine (CAS 99-52-5)

InChI

InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3

InChI Key

XTTIQGSLJBWVIV-UHFFFAOYSA-N

Formula

C7H8N2O2

SMILES

Cc1cc([N+](=O)[O-])ccc1N

Molecular Weight¹

152.15

CAS

99-52-5

Other Names

• 2-methyl-4-nitroaniline
• 5-Nitro-2-aminotoluene
• aniline, 2-methyl-4-nitro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_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).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[149.37; 338.06]	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			3.20000e+00
Coefficient B			6.32180e-01
Coefficient C			-3.75920e-04
Coefficient D			7.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.37	J/mol×K	273.00	Calculated Property
Cp,gas	183.28	J/mol×K	353.78	Calculated Property
Cp,gas	213.38	J/mol×K	434.56	Calculated Property
Cp,gas	239.91	J/mol×K	515.33	Calculated Property
Cp,gas	263.12	J/mol×K	596.11	Calculated Property
Cp,gas	283.25	J/mol×K	676.89	Calculated Property
Cp,gas	300.57	J/mol×K	757.67	Calculated Property
Cp,gas	315.31	J/mol×K	838.44	Calculated Property
Cp,gas	327.72	J/mol×K	919.22	Calculated Property
Cp,gas	338.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-nitro-o-toluidine.

Mixtures

• 4-nitro-o-toluidine + Ethyl Acetate + Methyl Alcohol
• 4-nitro-o-toluidine + Ethanol + Ethyl Acetate
• 1-Propanol + 4-nitro-o-toluidine + Ethyl Acetate
• 2-Propanol + 4-nitro-o-toluidine + Ethyl Acetate
• Acetonitrile + 4-nitro-o-toluidine
• 4-nitro-o-toluidine + Ethyl Acetate
• 4-nitro-o-toluidine + Ethanol
• 1-Propanol + 4-nitro-o-toluidine
• 2-Propanol + 4-nitro-o-toluidine
• 4-nitro-o-toluidine + Acetone
• Toluene + 4-nitro-o-toluidine
• 4-nitro-o-toluidine + Cyclohexane
• 4-nitro-o-toluidine + Methyl Alcohol
• 2-Butanone + 4-nitro-o-toluidine
• 4-nitro-o-toluidine + 1-Butanol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility and solution thermodynamics of 2-methyl-4-nitroaniline in eleven organic solvents at elevated temperatures
• Solubility and preferential solvation of 2-methyl-4-nitroaniline in mixed solvents of ethyl acetate + (methanol, ethanol, n-propanol and isopropanol)
• Joback Method
• McGowan Method
• NIST Webbook

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