- InChI
- InChI=1S/C13H9FN2O3/c14-10-6-4-9(5-7-10)13(17)15-11-2-1-3-12(8-11)16(18)19/h1-8H,(H,15,17)
- InChI Key
- YVWSFJPMKQLACJ-UHFFFAOYSA-N
- Formula
- C13H9FN2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
ccc(F)cc1 - Molecular Weight1
- 260.22
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7164 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.986 | Crippen Calculated Property | |
| McVol | 177.250 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Inp | [2394.00; 2394.00] |
|
|
| Inp | 2394.00 | NIST | |
| Inp | 2394.00 | NIST | |
| Tboil | 629.17 | K | Relay (1.0) Calculated Property |
| Tc | 965.72 | K | Relay (1.0) Calculated Property |
| Tfus | 419.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.30; 536.77] | J/mol×K | [815.31; 1072.15] |
|
| Cp,gas | 487.30 | J/mol×K | 815.31 | Joback Calculated Property |
| Cp,gas | 497.98 | J/mol×K | 858.12 | Joback Calculated Property |
| Cp,gas | 507.58 | J/mol×K | 900.92 | Joback Calculated Property |
| Cp,gas | 516.17 | J/mol×K | 943.73 | Joback Calculated Property |
| Cp,gas | 523.85 | J/mol×K | 986.53 | Joback Calculated Property |
| Cp,gas | 530.69 | J/mol×K | 1029.34 | Joback Calculated Property |
| Cp,gas | 536.77 | J/mol×K | 1072.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-4-fluoro-.
Sources
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