- InChI
- InChI=1S/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2
- InChI Key
- DFWXYHZQNLIBLY-UHFFFAOYSA-N
- Formula
- C6H7N3O2
- SMILES
- Nc1cc(N)cc([N+](=O)[O-])c1
- Molecular Weight1
- 153.14
- CAS
- 5042-55-7
- Other Names
-
- m-Phenylenediamine, 5-nitro-
- 1-Nitro-3,5-diaminobenzene
- 1,3-Diamino-5-nitrobenzene
- 3,5-Diaminonitrobenzene
- 5-Nitro-1,3-benzenediamine
- 5-nitrobenzene-1,3-diamine
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 261.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 103.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.39 | Crippen Calculated Property | |
| logPoct/wat | 0.759 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 5351.35 | kPa | Joback Calculated Property |
| Tboil | 670.22 | K | Joback Calculated Property |
| Tc | 940.43 | K | Joback Calculated Property |
| Tfus | 518.97 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.57; 315.86] | J/mol×K | [670.22; 940.43] | 
|
| Cp,gas | 271.57 | J/mol×K | 670.22 | Joback Calculated Property |
| Cp,gas | 280.82 | J/mol×K | 715.26 | Joback Calculated Property |
| Cp,gas | 289.27 | J/mol×K | 760.29 | Joback Calculated Property |
| Cp,gas | 296.95 | J/mol×K | 805.33 | Joback Calculated Property |
| Cp,gas | 303.92 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 310.21 | J/mol×K | 895.40 | Joback Calculated Property |
| Cp,gas | 315.86 | J/mol×K | 940.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenediamine, 5-nitro-.
Sources
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