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-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.53; 321.82]	J/mol×K	[620.57; 879.01]
Cp,gas	269.53	J/mol×K	620.57	Joback Calculated Property
Cp,gas	280.15	J/mol×K	663.64	Joback Calculated Property
Cp,gas	289.96	J/mol×K	706.72	Joback Calculated Property
Cp,gas	299.00	J/mol×K	749.79	Joback Calculated Property
Cp,gas	307.29	J/mol×K	792.87	Joback Calculated Property
Cp,gas	314.89	J/mol×K	835.94	Joback Calculated Property
Cp,gas	321.82	J/mol×K	879.01	Joback Calculated Property
Cp,solid	217.10	J/mol×K	323.00	NIST

Similar Compounds

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

Mixtures

• Acetonitrile + 4-nitro-o-toluidine
• 4-nitro-o-toluidine + Ethyl Acetate
• 4-nitro-o-toluidine + Ethanol
• 1-Propanol + 4-nitro-o-toluidine
• Isopropyl Alcohol + 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
• 4-nitro-o-toluidine + Ethyl Acetate + Methyl Alcohol
• 4-nitro-o-toluidine + Ethanol + Ethyl Acetate
• 1-Propanol + 4-nitro-o-toluidine + Ethyl Acetate
• Isopropyl Alcohol + 4-nitro-o-toluidine + Ethyl Acetate

Sources

• 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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