- InChI
- InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)
- InChI Key
- YOKGZPNQGIYATO-UHFFFAOYSA-N
- Formula
- C8H6Cl2N2O3
- SMILES
-
CC(=O)Nc1cc(Cl)c([N+](=O)[O-])
cc1Cl - Molecular Weight1
- 249.05
- CAS
- 38411-17-5
- Other Names
-
- Acetamide, N-(2,5-dichloro-4-nitrophenyl)-
- Acetanilide, 2',5'-dichloro-4'-nitro-
- 2,5-Dichlor-4-nitroacetanilid
- N-(2,5-dichloro-4-nitrophenyl)acetamide
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6778 | Relay (... Calculated Property | |
| ΔfG° | 72.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -3.68 | Relay (... Calculated Property | |
| logPoct/wat | 2.860 | Crippen Calculated Property | |
| McVol | 153.270 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Tboil | 565.27 | K | Relay (... Calculated Property |
| Tc | 897.61 | K | Relay (... Calculated Property |
| Tfus | 383.55 | K | Relay (... Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.24; 394.09] | J/mol×K | [754.80; 1009.30] | 
|
| Cp,gas | 355.24 | J/mol×K | 754.80 | Joback Calculated Property |
| Cp,gas | 363.53 | J/mol×K | 797.22 | Joback Calculated Property |
| Cp,gas | 371.04 | J/mol×K | 839.63 | Joback Calculated Property |
| Cp,gas | 377.82 | J/mol×K | 882.05 | Joback Calculated Property |
| Cp,gas | 383.89 | J/mol×K | 924.46 | Joback Calculated Property |
| Cp,gas | 389.31 | J/mol×K | 966.88 | Joback Calculated Property |
| Cp,gas | 394.09 | J/mol×K | 1009.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',5'-Dichloro-4'-nitroacetanilide.
Sources
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