- InChI
- InChI=1S/C9H9ClFNO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
- InChI Key
- WXMWLNAPEHYULF-UHFFFAOYSA-N
- Formula
- C9H9ClFNO
- SMILES
- O=C(CCCl)Nc1ccc(F)cc1
- 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° | -118.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.393 | Crippen Calculated Property | |
| McVol | 139.470 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 577.72 | K | Joback Calculated Property |
| Tc | 791.12 | K | Joback Calculated Property |
| Tfus | 363.23 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.95; 367.89] | J/mol×K | [577.72; 791.12] |
|
| Cp,gas | 310.95 | J/mol×K | 577.72 | Joback Calculated Property |
| Cp,gas | 322.17 | J/mol×K | 613.29 | Joback Calculated Property |
| Cp,gas | 332.66 | J/mol×K | 648.85 | Joback Calculated Property |
| Cp,gas | 342.44 | J/mol×K | 684.42 | Joback Calculated Property |
| Cp,gas | 351.56 | J/mol×K | 719.99 | Joback Calculated Property |
| Cp,gas | 360.03 | J/mol×K | 755.56 | Joback Calculated Property |
| Cp,gas | 367.89 | J/mol×K | 791.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-fluorophenyl)-3-chloro-.
Sources
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