- InChI
- InChI=1S/C8H7ClN2O3/c9-6-2-1-5(4-8(10)12)3-7(6)11(13)14/h1-3H,4H2,(H2,10,12)
- InChI Key
- FPLQCHARENUDSW-UHFFFAOYSA-N
- Formula
- C8H7ClN2O3
- SMILES
-
NC(=O)Cc1ccc(Cl)c([N+](=O)[O-]
)c1 - Molecular Weight1
- 214.61
- CAS
- 5540-60-3
- Other Names
-
- «alpha»-(4-Chloro-3-nitrophenyl)acetamide
- Acetamide, N-(4-chloro-3-nitrophenyl)-
- N-(4-chloro-3-nitrophenyl)acetamide
- 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° | 70.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 1.276 | Crippen Calculated Property | |
| McVol | 141.030 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 734.75 | K | Joback Calculated Property |
| Tc | 994.75 | K | Joback Calculated Property |
| Tfus | 538.10 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.90; 386.34] | J/mol×K | [734.75; 994.75] | 
|
| Cp,gas | 343.90 | J/mol×K | 734.75 | Joback Calculated Property |
| Cp,gas | 352.90 | J/mol×K | 778.08 | Joback Calculated Property |
| Cp,gas | 361.07 | J/mol×K | 821.42 | Joback Calculated Property |
| Cp,gas | 368.45 | J/mol×K | 864.75 | Joback Calculated Property |
| Cp,gas | 375.10 | J/mol×K | 908.08 | Joback Calculated Property |
| Cp,gas | 381.05 | J/mol×K | 951.41 | Joback Calculated Property |
| Cp,gas | 386.34 | J/mol×K | 994.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-3-nitrophenylacetamide.
Sources
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