- InChI
- InChI=1S/C11H12FNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14)
- InChI Key
- CHJVAINAJREZKY-UHFFFAOYSA-N
- Formula
- C11H12FNO
- SMILES
- CC(C)=CC(=O)Nc1ccc(F)cc1
- Molecular Weight1
- 193.22
- 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° | -18.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.730 | Crippen Calculated Property | |
| McVol | 151.110 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 1635.00 | NIST | |
| Tboil | 590.09 | K | Joback Calculated Property |
| Tc | 805.17 | K | Joback Calculated Property |
| Tfus | 336.81 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.62; 426.09] | J/mol×K | [590.09; 805.17] | 
|
| Cp,gas | 358.62 | J/mol×K | 590.09 | Joback Calculated Property |
| Cp,gas | 371.88 | J/mol×K | 625.94 | Joback Calculated Property |
| Cp,gas | 384.27 | J/mol×K | 661.78 | Joback Calculated Property |
| Cp,gas | 395.84 | J/mol×K | 697.63 | Joback Calculated Property |
| Cp,gas | 406.64 | J/mol×K | 733.47 | Joback Calculated Property |
| Cp,gas | 416.70 | J/mol×K | 769.32 | Joback Calculated Property |
| Cp,gas | 426.09 | J/mol×K | 805.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(4-fluorophenyl)-3-methyl-.
Sources
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