- 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
- 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).
- Psub : Sublimation pressure (kPa).
- ρs : Solid Density (kg/m3).
- 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 | 347.90 | K | Combine... |
| 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 |
| Psub | [8.47e-05; 9.26e-04] | kPa | [327.27; 349.13] |
|
| Psub | 8.47e-05 | kPa | 327.27 | Combine... |
| Psub | 8.67e-05 | kPa | 327.27 | Combine... |
| Psub | 1.04e-04 | kPa | 329.20 | Combine... |
| Psub | 1.05e-04 | kPa | 329.20 | Combine... |
| Psub | 1.06e-04 | kPa | 329.20 | Combine... |
| Psub | 1.32e-04 | kPa | 331.14 | Combine... |
| Psub | 1.29e-04 | kPa | 331.14 | Combine... |
| Psub | 1.30e-04 | kPa | 331.14 | Combine... |
| Psub | 1.63e-04 | kPa | 333.26 | Combine... |
| Psub | 1.62e-04 | kPa | 333.26 | Combine... |
| Psub | 1.72e-04 | kPa | 333.26 | Combine... |
| Psub | 2.05e-04 | kPa | 335.21 | Combine... |
| Psub | 2.07e-04 | kPa | 335.21 | Combine... |
| Psub | 2.05e-04 | kPa | 335.21 | Combine... |
| Psub | 2.44e-04 | kPa | 337.16 | Combine... |
| Psub | 2.55e-04 | kPa | 337.16 | Combine... |
| Psub | 2.51e-04 | kPa | 337.16 | Combine... |
| Psub | 3.19e-04 | kPa | 339.27 | Combine... |
| Psub | 3.20e-04 | kPa | 339.27 | Combine... |
| Psub | 3.16e-04 | kPa | 339.27 | Combine... |
| Psub | 3.96e-04 | kPa | 341.15 | Combine... |
| Psub | 3.89e-04 | kPa | 341.15 | Combine... |
| Psub | 3.95e-04 | kPa | 341.15 | Combine... |
| Psub | 4.71e-04 | kPa | 343.12 | Combine... |
| Psub | 4.86e-04 | kPa | 343.12 | Combine... |
| Psub | 4.80e-04 | kPa | 343.12 | Combine... |
| Psub | 6.01e-04 | kPa | 345.25 | Combine... |
| Psub | 6.05e-04 | kPa | 345.25 | Combine... |
| Psub | 6.08e-04 | kPa | 345.25 | Combine... |
| Psub | 7.55e-04 | kPa | 347.15 | Combine... |
| Psub | 7.55e-04 | kPa | 347.15 | Combine... |
| Psub | 7.41e-04 | kPa | 347.15 | Combine... |
| Psub | 9.14e-04 | kPa | 349.13 | Combine... |
| Psub | 9.26e-04 | kPa | 349.13 | Combine... |
| Psub | 8.95e-04 | kPa | 349.13 | Combine... |
| ρs | 1180.00 | kg/m3 | 298.15 | Combine... |
Similar Compounds
Find more compounds similar to 4-chloro-3-nitroaniline.
Sources
- Crippen Method
- Crippen Method
- Combined experimental and computational thermochemistry of isomers of chloronitroanilines
- Joback Method
- McGowan Method
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