- InChI
- InChI=1S/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
- InChI Key
- UZBZEUCQENVPQB-UHFFFAOYSA-N
- Formula
- C8H7FN2O3
- SMILES
- CC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
- Molecular Weight1
- 198.15
- CAS
- 448-39-5
- Other Names
-
- 4-Fluoro-2-nitroacetanilide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6226 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3917.00 | kJ/mol | NIST |
| ΔfG° | -89.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.692 | Crippen Calculated Property | |
| McVol | 130.560 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Tboil | 549.71 | K | Relay (1.0) Calculated Property |
| Tc | 827.81 | K | Relay (1.0) Calculated Property |
| Tfus | 383.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.64; 374.85] | J/mol×K | [674.23; 912.12] | 
|
| Cp,gas | 326.64 | J/mol×K | 674.23 | Joback Calculated Property |
| Cp,gas | 336.51 | J/mol×K | 713.88 | Joback Calculated Property |
| Cp,gas | 345.61 | J/mol×K | 753.53 | Joback Calculated Property |
| Cp,gas | 353.96 | J/mol×K | 793.18 | Joback Calculated Property |
| Cp,gas | 361.59 | J/mol×K | 832.82 | Joback Calculated Property |
| Cp,gas | 368.54 | J/mol×K | 872.47 | Joback Calculated Property |
| Cp,gas | 374.85 | J/mol×K | 912.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Fluoro-2'-nitroacetanilide.
Sources
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