- InChI
- InChI=1S/C13H9F2NO/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,(H,16,17)
- InChI Key
- SDQOPRDHXLLYOF-UHFFFAOYSA-N
- Formula
- C13H9F2NO
- SMILES
- O=C(Nc1ccc(F)cc1)c1ccc(F)cc1
- Molecular Weight1
- 233.21
- 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 | 0.6133 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.217 | Crippen Calculated Property | |
| McVol | 161.600 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | [1893.00; 1893.00] |
|
|
| Inp | 1893.00 | NIST | |
| Inp | 1893.00 | NIST | |
| Tboil | 603.24 | K | Relay (1.0) Calculated Property |
| Tc | 888.40 | K | Relay (1.0) Calculated Property |
| Tfus | 414.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.92; 467.18] | J/mol×K | [662.74; 890.89] |
|
| Cp,gas | 404.92 | J/mol×K | 662.74 | Joback Calculated Property |
| Cp,gas | 417.60 | J/mol×K | 700.77 | Joback Calculated Property |
| Cp,gas | 429.30 | J/mol×K | 738.79 | Joback Calculated Property |
| Cp,gas | 440.05 | J/mol×K | 776.82 | Joback Calculated Property |
| Cp,gas | 449.92 | J/mol×K | 814.84 | Joback Calculated Property |
| Cp,gas | 458.94 | J/mol×K | 852.87 | Joback Calculated Property |
| Cp,gas | 467.18 | J/mol×K | 890.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-fluorophenyl)-4-fluoro-.
Sources
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