- InChI
- InChI=1S/C8H6F2N2O3/c1-4(13)11-8-6(10)2-5(9)3-7(8)12(14)15/h2-3H,1H3,(H,11,13)
- InChI Key
- ZBECJQMWJBFRCL-UHFFFAOYSA-N
- Formula
- C8H6F2N2O3
- SMILES
-
CC(=O)Nc1c(F)cc(F)cc1[N+](=O)[
O-] - Molecular Weight1
- 216.14
- CAS
- 441-30-5
- Other Names
-
- Acetamide, N-(2,4-difluoro-6-nitrophenyl)-
- 2',4'-difluoro-6'-nitroacetanilide
- 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° | -293.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 1.831 | Crippen Calculated Property | |
| McVol | 132.330 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Tboil | 678.48 | K | Joback Calculated Property |
| Tc | 906.48 | K | Joback Calculated Property |
| Tfus | 491.28 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.05; 378.37] | J/mol×K | [678.48; 906.48] | 
|
| Cp,gas | 333.05 | J/mol×K | 678.48 | Joback Calculated Property |
| Cp,gas | 342.25 | J/mol×K | 716.48 | Joback Calculated Property |
| Cp,gas | 350.76 | J/mol×K | 754.48 | Joback Calculated Property |
| Cp,gas | 358.60 | J/mol×K | 792.48 | Joback Calculated Property |
| Cp,gas | 365.81 | J/mol×K | 830.48 | Joback Calculated Property |
| Cp,gas | 372.39 | J/mol×K | 868.48 | Joback Calculated Property |
| Cp,gas | 378.37 | J/mol×K | 906.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluoro-6-nitroacetanilide.
Sources
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