- InChI
- InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
- InChI Key
- IQEJEZOCXWJNKR-UHFFFAOYSA-N
- Formula
- C7H7N3O4
- SMILES
-
CNc1ccc([N+](=O)[O-])cc1[N+](=
O)[O-] - Molecular Weight1
- 197.15
- CAS
- 2044-88-4
- Other Names
-
- Aniline, N-methyl-2,4-dinitro-
- N-Methyl-2,4-dinitroaniline
- 2,4-Dinitro-N-methylaniline
- (2,4-Dinitrophenyl)methylamine
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-3705.00; -3688.00] | kJ/mol |
|
| ΔcH°solid | -3688.00 ± 3.70 | kJ/mol | NIST |
| ΔcH°solid | -3705.00 | kJ/mol | NIST |
| ΔfG° | 261.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.73 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -67.40 ± 3.70 | kJ/mol | NIST |
| ΔfusH° | 34.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 1.545 | Crippen Calculated Property | |
| McVol | 130.550 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 750.05 | K | Joback Calculated Property |
| Tc | 1018.88 | K | Joback Calculated Property |
| Tfus | 559.99 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.20; 387.43] | J/mol×K | [750.05; 1018.88] |
|
| Cp,gas | 343.20 | J/mol×K | 750.05 | Joback Calculated Property |
| Cp,gas | 352.67 | J/mol×K | 794.86 | Joback Calculated Property |
| Cp,gas | 361.22 | J/mol×K | 839.66 | Joback Calculated Property |
| Cp,gas | 368.92 | J/mol×K | 884.47 | Joback Calculated Property |
| Cp,gas | 375.82 | J/mol×K | 929.27 | Joback Calculated Property |
| Cp,gas | 381.97 | J/mol×K | 974.08 | Joback Calculated Property |
| Cp,gas | 387.43 | J/mol×K | 1018.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N-methyl-2,4-dinitro-.
Sources
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