- InChI
- InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
- InChI Key
- MPBZUKLDHPOCLS-UHFFFAOYSA-N
- Formula
- C6H5N3O4
- SMILES
-
Nc1cc([N+](=O)[O-])cc([N+](=O)
[O-])c1 - Molecular Weight1
- 183.12
- CAS
- 618-87-1
- Other Names
-
- Aniline, 3,5-dinitro-
- 3,5-Dinitroaniline
- Benzeneamine, 3,5-dinitro-
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7128 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3037.00 | kJ/mol | NIST |
| ΔfG° | 230.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -39.00 | kJ/mol | NIST |
| ΔfusH° | 32.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.085 | Crippen Calculated Property | |
| McVol | 116.460 | ml/mol | McGowan Calculated Property |
| Pc | 5015.69 | kPa | Joback Calculated Property |
| Inp | 321.42 | NIST | |
| Tboil | 579.05 | K | Relay (1.0) Calculated Property |
| Tc | 871.10 | K | Relay (1.0) Calculated Property |
| Tfus | 409.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.44; 335.82] | J/mol×K | [749.53; 1034.10] | 
|
| Cp,gas | 298.44 | J/mol×K | 749.53 | Joback Calculated Property |
| Cp,gas | 306.66 | J/mol×K | 796.96 | Joback Calculated Property |
| Cp,gas | 314.01 | J/mol×K | 844.39 | Joback Calculated Property |
| Cp,gas | 320.54 | J/mol×K | 891.81 | Joback Calculated Property |
| Cp,gas | 326.32 | J/mol×K | 939.24 | Joback Calculated Property |
| Cp,gas | 331.39 | J/mol×K | 986.67 | Joback Calculated Property |
| Cp,gas | 335.82 | J/mol×K | 1034.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 3,5-dinitro-.
Sources
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