- InChI
- InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
- InChI Key
- FOHHWGVAOVDVLP-UHFFFAOYSA-N
- Formula
- C6H5ClN2O2
- SMILES
- Nc1ccc(Cl)c([N+](=O)[O-])c1
- Molecular Weight1
- 172.57
- CAS
- 635-22-3
- Other Names
-
- Aniline, 4-chloro-3-nitro-
- 4-Chloro-3-nitroaniline
- 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° | 182.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 53.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 1.830 | Crippen Calculated Property | |
| McVol | 111.280 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Tboil | 635.12 | K | Joback Calculated Property |
| Tc | 902.71 | K | Joback Calculated Property |
| Tfus | 465.63 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.95; 285.10] | J/mol×K | [635.12; 902.71] | 
|
| Cp,gas | 243.95 | J/mol×K | 635.12 | Joback Calculated Property |
| Cp,gas | 252.54 | J/mol×K | 679.72 | Joback Calculated Property |
| Cp,gas | 260.38 | J/mol×K | 724.32 | Joback Calculated Property |
| Cp,gas | 267.52 | J/mol×K | 768.91 | Joback Calculated Property |
| Cp,gas | 273.99 | J/mol×K | 813.51 | Joback Calculated Property |
| Cp,gas | 279.84 | J/mol×K | 858.11 | Joback Calculated Property |
| Cp,gas | 285.10 | J/mol×K | 902.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-chloro-3-nitro-.
Sources
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