- InChI
- InChI=1S/C13H9ClFNO/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,(H,16,17)
- InChI Key
- ACCUIVLHACNVHQ-UHFFFAOYSA-N
- Formula
- C13H9ClFNO
- SMILES
- O=C(Nc1cccc(Cl)c1)c1ccccc1F
- Molecular Weight1
- 249.67
- 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° | 17.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.731 | Crippen Calculated Property | |
| McVol | 172.070 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [2040.00; 2040.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 700.90 | K | Joback Calculated Property |
| Tc | 942.60 | K | Joback Calculated Property |
| Tfus | 447.25 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.15; 478.60] | J/mol×K | [700.90; 942.60] |
|
| Cp,gas | 420.15 | J/mol×K | 700.90 | Joback Calculated Property |
| Cp,gas | 432.28 | J/mol×K | 741.18 | Joback Calculated Property |
| Cp,gas | 443.38 | J/mol×K | 781.47 | Joback Calculated Property |
| Cp,gas | 453.49 | J/mol×K | 821.75 | Joback Calculated Property |
| Cp,gas | 462.69 | J/mol×K | 862.03 | Joback Calculated Property |
| Cp,gas | 471.04 | J/mol×K | 902.32 | Joback Calculated Property |
| Cp,gas | 478.60 | J/mol×K | 942.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-2-fluoro-.
Sources
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