- InChI
- InChI=1S/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
- InChI Key
- PIPKLZRJGNJMBY-UHFFFAOYSA-N
- Formula
- C6H6ClN3O2
- SMILES
- Nc1cc(Cl)cc([N+](=O)[O-])c1N
- Molecular Weight1
- 187.58
- CAS
- 42389-30-0
- 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° | 239.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 76.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.08 | Crippen Calculated Property | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 121.260 | ml/mol | McGowan Calculated Property |
| Pc | 4966.33 | kPa | Joback Calculated Property |
| Tboil | 712.63 | K | Joback Calculated Property |
| Tc | 985.51 | K | Joback Calculated Property |
| Tfus | 561.41 | K | Joback Calculated Property |
| Vc | 0.453 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.87; 326.26] | J/mol×K | [712.63; 985.51] | 
|
| Cp,gas | 287.87 | J/mol×K | 712.63 | Joback Calculated Property |
| Cp,gas | 295.99 | J/mol×K | 758.11 | Joback Calculated Property |
| Cp,gas | 303.38 | J/mol×K | 803.59 | Joback Calculated Property |
| Cp,gas | 310.06 | J/mol×K | 849.07 | Joback Calculated Property |
| Cp,gas | 316.08 | J/mol×K | 894.55 | Joback Calculated Property |
| Cp,gas | 321.47 | J/mol×K | 940.03 | Joback Calculated Property |
| Cp,gas | 326.26 | J/mol×K | 985.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-3-nitro-o-phenylene diamine.
Sources
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