- InChI
- InChI=1S/C9H9ClFNO/c1-2-12-9(13)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3,(H,12,13)
- InChI Key
- NHLQLGZGKHTXTL-UHFFFAOYSA-N
- Formula
- C9H9ClFNO
- SMILES
- CCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 201.62
- 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° | -128.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 139.470 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| Inp | [1554.00; 1554.00] |
|
|
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Tboil | 582.70 | K | Joback Calculated Property |
| Tc | 797.11 | K | Joback Calculated Property |
| Tfus | 375.75 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.04; 366.03] | J/mol×K | [582.70; 797.11] |
|
| Cp,gas | 310.04 | J/mol×K | 582.70 | Joback Calculated Property |
| Cp,gas | 321.00 | J/mol×K | 618.43 | Joback Calculated Property |
| Cp,gas | 331.27 | J/mol×K | 654.17 | Joback Calculated Property |
| Cp,gas | 340.89 | J/mol×K | 689.90 | Joback Calculated Property |
| Cp,gas | 349.87 | J/mol×K | 725.64 | Joback Calculated Property |
| Cp,gas | 358.24 | J/mol×K | 761.37 | Joback Calculated Property |
| Cp,gas | 366.03 | J/mol×K | 797.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-ethyl-.
Sources
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