Chemical Properties of 2-methyl-3,5-dinitrobenzamide

InChI

InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)

InChI Key

ZEFNOZRLAWVAQF-UHFFFAOYSA-N

Formula

C8H7N3O5

SMILES

Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Weight¹

225.16

Other Names

• 3,5-dinitro-2-methylbenzamide
• 3,5-dinitro-o-toluamide
• 3,5-dinitro-ortho-toluamide
• Dinitolmide

• C_p,gas : Ideal gas 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.23; 421.86]	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			2.94400e+01
Coefficient B			7.39040e-01
Coefficient C			-4.22980e-04
Coefficient D			7.63600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.23	J/mol×K	273.00	Calculated Property
Cp,gas	241.34	J/mol×K	353.78	Calculated Property
Cp,gas	276.99	J/mol×K	434.56	Calculated Property
Cp,gas	308.41	J/mol×K	515.33	Calculated Property
Cp,gas	335.86	J/mol×K	596.11	Calculated Property
Cp,gas	359.57	J/mol×K	676.89	Calculated Property
Cp,gas	379.78	J/mol×K	757.67	Calculated Property
Cp,gas	396.74	J/mol×K	838.44	Calculated Property
Cp,gas	410.69	J/mol×K	919.22	Calculated Property
Cp,gas	421.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-3,5-dinitrobenzamide.

Mixtures

• Methyl Alcohol + 2-methyl-3,5-dinitrobenzamide
• Ethanol + 2-methyl-3,5-dinitrobenzamide
• 1-Propanol + 2-methyl-3,5-dinitrobenzamide
• 2-Propanol + 2-methyl-3,5-dinitrobenzamide
• 1-Butanol + 2-methyl-3,5-dinitrobenzamide
• Ethyl Acetate + 2-methyl-3,5-dinitrobenzamide
• Dimethyl Sulfoxide + 2-methyl-3,5-dinitrobenzamide
• Acetonitrile + 2-methyl-3,5-dinitrobenzamide
• Cyclohexane + 2-methyl-3,5-dinitrobenzamide
• 1,2-Ethanediol + 2-methyl-3,5-dinitrobenzamide
• 1,4-Dioxane + 2-methyl-3,5-dinitrobenzamide
• Water + 2-methyl-3,5-dinitrobenzamide
• Ethanol + Water + 2-methyl-3,5-dinitrobenzamide
• 1,2-Ethanediol + Water + 2-methyl-3,5-dinitrobenzamide
• 2-Propanol + Water + 2-methyl-3,5-dinitrobenzamide

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Equilibrium solubility of dinitolmide in several neat solvents and binary aqueous co-solvent mixtures: Experimental determination and thermodynamic analysis
• Joback Method
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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