- InChI
- InChI=1S/C12H9ClN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H
- InChI Key
- GYOVQZDXSHTPBS-UHFFFAOYSA-N
- Formula
- C12H9ClN2O2
- SMILES
-
O=[N+]([O-])c1cc(Cl)ccc1Nc1ccc
cc1 - Molecular Weight1
- 248.66
- CAS
- 16611-15-7
- Other Names
-
- N-(4-Chloro-2-nitrophenyl)aniline
- 4-Chloro-2-nitrodiphenylamine
- 4-chloro-2-nitro-N-phenylaniline
- 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° | 368.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 186.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 3.992 | Crippen Calculated Property | |
| McVol | 172.060 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 776.72 | K | Joback Calculated Property |
| Tc | 1048.73 | K | Joback Calculated Property |
| Tfus | 529.07 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.49; 493.86] | J/mol×K | [776.72; 1048.73] | 
|
| Cp,gas | 440.49 | J/mol×K | 776.72 | Joback Calculated Property |
| Cp,gas | 451.95 | J/mol×K | 822.05 | Joback Calculated Property |
| Cp,gas | 462.25 | J/mol×K | 867.39 | Joback Calculated Property |
| Cp,gas | 471.50 | J/mol×K | 912.72 | Joback Calculated Property |
| Cp,gas | 479.78 | J/mol×K | 958.06 | Joback Calculated Property |
| Cp,gas | 487.21 | J/mol×K | 1003.39 | Joback Calculated Property |
| Cp,gas | 493.86 | J/mol×K | 1048.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-chloro-2-nitro-N-phenyl-.
Sources
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