- InChI
- InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)
- InChI Key
- UUKWKUSGGZNXGA-UHFFFAOYSA-N
- Formula
- C7H5N3O5
- SMILES
-
NC(=O)c1cc([N+](=O)[O-])cc([N+
](=O)[O-])c1 - Molecular Weight1
- 211.13
- CAS
- 121-81-3
- Other Names
-
- Nitromide
- Benzamide, 3,5-dinitro-
- component of Tristat
- component of Unistat
- component of Unistat-3
- Tristat
- Unistat
- 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° | 109.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 0.602 | Crippen Calculated Property | |
| McVol | 132.120 | ml/mol | McGowan Calculated Property |
| Pc | 4789.21 | kPa | Joback Calculated Property |
| Tboil | 826.28 | K | Joback Calculated Property |
| Tc | 1106.99 | K | Joback Calculated Property |
| Tfus | 640.52 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.35; 382.24] | J/mol×K | [826.28; 1106.99] | 
|
| Cp,gas | 350.35 | J/mol×K | 826.28 | Joback Calculated Property |
| Cp,gas | 357.69 | J/mol×K | 873.06 | Joback Calculated Property |
| Cp,gas | 364.14 | J/mol×K | 919.85 | Joback Calculated Property |
| Cp,gas | 369.77 | J/mol×K | 966.63 | Joback Calculated Property |
| Cp,gas | 374.63 | J/mol×K | 1013.42 | Joback Calculated Property |
| Cp,gas | 378.76 | J/mol×K | 1060.20 | Joback Calculated Property |
| Cp,gas | 382.24 | J/mol×K | 1106.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dinitrobenzamide.
Sources
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