- InChI
- InChI=1S/C9H9ClN2O3/c1-6(10)9(13)11-7-3-2-4-8(5-7)12(14)15/h2-6H,1H3,(H,11,13)
- InChI Key
- DKFBWJTZPPJWFC-UHFFFAOYSA-N
- Formula
- C9H9ClN2O3
- SMILES
-
CC(Cl)C(=O)Nc1cccc([N+](=O)[O-
])c1 - Molecular Weight1
- 228.63
- 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).
- Inp : Non-polar retention indices.
- 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° | 109.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.161 | Crippen Calculated Property | |
| McVol | 155.120 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | 1873.00 | NIST | |
| Tboil | 729.85 | K | Joback Calculated Property |
| Tc | 980.32 | K | Joback Calculated Property |
| Tfus | 491.25 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.51; 440.29] | J/mol×K | [729.85; 980.32] | 
|
| Cp,gas | 390.51 | J/mol×K | 729.85 | Joback Calculated Property |
| Cp,gas | 400.97 | J/mol×K | 771.60 | Joback Calculated Property |
| Cp,gas | 410.49 | J/mol×K | 813.34 | Joback Calculated Property |
| Cp,gas | 419.13 | J/mol×K | 855.09 | Joback Calculated Property |
| Cp,gas | 426.94 | J/mol×K | 896.83 | Joback Calculated Property |
| Cp,gas | 433.97 | J/mol×K | 938.58 | Joback Calculated Property |
| Cp,gas | 440.29 | J/mol×K | 980.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-nitrophenyl)-2-chloro-.
Sources
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