- InChI
- InChI=1S/C7H6N4O6/c1-8-7-5(10(14)15)2-4(9(12)13)3-6(7)11(16)17/h2-3,8H,1H3
- InChI Key
- CFYAUGJHWXGWHI-UHFFFAOYSA-N
- Formula
- C7H6N4O6
- SMILES
-
CNc1c([N+](=O)[O-])cc([N+](=O)
[O-])cc1[N+](=O)[O-] - Molecular Weight1
- 242.15
- CAS
- 1022-07-7
- Other Names
-
- Benzenamine, N-methyl-2,4,6-trinitro-
- Aniline, N-methyl-2,4,6-trinitro-
- N-Methyl-2,4,6-trinitroaniline
- N-Methylpicramide
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8112 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3562.80 ± 2.40 | kJ/mol | NIST |
| ΔfG° | 287.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 109.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -49.30 ± 3.60 | kJ/mol | NIST |
| ΔfusH° | 45.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.453 | Crippen Calculated Property | |
| McVol | 147.970 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Tboil | 561.77 | K | Relay (1.0) Calculated Property |
| Tc | 914.25 | K | Relay (1.0) Calculated Property |
| Tfus | 443.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.26; 445.34] | J/mol×K | [906.87; 1190.19] | 
|
| Cp,gas | 415.26 | J/mol×K | 906.87 | Joback Calculated Property |
| Cp,gas | 422.37 | J/mol×K | 954.09 | Joback Calculated Property |
| Cp,gas | 428.56 | J/mol×K | 1001.31 | Joback Calculated Property |
| Cp,gas | 433.89 | J/mol×K | 1048.53 | Joback Calculated Property |
| Cp,gas | 438.43 | J/mol×K | 1095.75 | Joback Calculated Property |
| Cp,gas | 442.23 | J/mol×K | 1142.97 | Joback Calculated Property |
| Cp,gas | 445.34 | J/mol×K | 1190.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trinitro-N-methyl-aniline.
Sources
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