- InChI
- InChI=1S/C13H11N3O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17)
- InChI Key
- INKGKPCLQCFQKB-UHFFFAOYSA-N
- Formula
- C13H11N3O3
- SMILES
-
Nc1ccc([N+](=O)[O-])cc1C(=O)Nc
1ccccc1 - Molecular Weight1
- 257.24
- CAS
- 30481-54-0
- 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° | 326.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 102.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 2.429 | Crippen Calculated Property | |
| McVol | 185.460 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 888.57 | K | Joback Calculated Property |
| Tc | 1159.19 | K | Joback Calculated Property |
| Tfus | 643.61 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.30; 577.75] | J/mol×K | [888.57; 1159.19] | 
|
| Cp,gas | 532.30 | J/mol×K | 888.57 | Joback Calculated Property |
| Cp,gas | 542.28 | J/mol×K | 933.67 | Joback Calculated Property |
| Cp,gas | 551.16 | J/mol×K | 978.78 | Joback Calculated Property |
| Cp,gas | 559.05 | J/mol×K | 1023.88 | Joback Calculated Property |
| Cp,gas | 566.05 | J/mol×K | 1068.99 | Joback Calculated Property |
| Cp,gas | 572.25 | J/mol×K | 1114.09 | Joback Calculated Property |
| Cp,gas | 577.75 | J/mol×K | 1159.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-5-nitrobenzanilide.
Sources
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