- InChI
- InChI=1S/C13H8ClF2NO/c14-11-3-1-2-10(12(11)16)13(18)17-9-6-4-8(15)5-7-9/h1-7H,(H,17,18)
- InChI Key
- WYJLLCVXTJGFAB-UHFFFAOYSA-N
- Formula
- C13H8ClF2NO
- SMILES
- O=C(Nc1ccc(F)cc1)c1cccc(Cl)c1F
- Molecular Weight1
- 267.66
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -186.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 173.840 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | [2116.00; 2116.00] |
|
|
| Inp | 2116.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Tboil | 705.15 | K | Joback Calculated Property |
| Tc | 936.96 | K | Joback Calculated Property |
| Tfus | 460.36 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.65; 481.87] | J/mol×K | [705.15; 936.96] |
|
| Cp,gas | 426.65 | J/mol×K | 705.15 | Joback Calculated Property |
| Cp,gas | 438.02 | J/mol×K | 743.78 | Joback Calculated Property |
| Cp,gas | 448.45 | J/mol×K | 782.42 | Joback Calculated Property |
| Cp,gas | 458.01 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 466.73 | J/mol×K | 859.69 | Joback Calculated Property |
| Cp,gas | 474.67 | J/mol×K | 898.32 | Joback Calculated Property |
| Cp,gas | 481.87 | J/mol×K | 936.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzamide, N-(4-fluorophenyl)-.
Sources
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