- InChI
- InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2
- InChI Key
- IQXUIDYRTHQTET-UHFFFAOYSA-N
- Formula
- C6H6N2O3
- SMILES
- Nc1ccc(O)cc1[N+](=O)[O-]
- Molecular Weight1
- 154.12
- CAS
- 610-81-1
- Other Names
-
- Phenol, 4-amino-3-nitro-
- 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° | 49.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.30 | Crippen Calculated Property | |
| logPoct/wat | 0.883 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 6298.82 | kPa | Joback Calculated Property |
| Tboil | 673.33 | K | Joback Calculated Property |
| Tc | 945.05 | K | Joback Calculated Property |
| Tfus | 534.91 | K | Joback Calculated Property |
| Vc | 0.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.94; 304.53] | J/mol×K | [673.33; 945.05] | 
|
| Cp,gas | 262.94 | J/mol×K | 673.33 | Joback Calculated Property |
| Cp,gas | 271.10 | J/mol×K | 718.62 | Joback Calculated Property |
| Cp,gas | 278.60 | J/mol×K | 763.90 | Joback Calculated Property |
| Cp,gas | 285.57 | J/mol×K | 809.19 | Joback Calculated Property |
| Cp,gas | 292.13 | J/mol×K | 854.48 | Joback Calculated Property |
| Cp,gas | 298.41 | J/mol×K | 899.77 | Joback Calculated Property |
| Cp,gas | 304.53 | J/mol×K | 945.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-nitrophenol.
Sources
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