- InChI
- InChI=1S/C13H18FNO/c1-4-15(9-10(2)3)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3
- InChI Key
- SBWPFQOTBAVQHV-UHFFFAOYSA-N
- Formula
- C13H18FNO
- SMILES
- CCN(CC(C)C)C(=O)c1ccccc1F
- Molecular Weight1
- 223.29
- 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° | -54.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 2.944 | Crippen Calculated Property | |
| McVol | 183.590 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [1794.00; 1794.00] |
|
|
| Inp | 1794.00 | NIST | |
| Inp | 1794.00 | NIST | |
| Tboil | 593.64 | K | Joback Calculated Property |
| Tc | 791.59 | K | Joback Calculated Property |
| Tfus | 343.20 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.20; 544.76] | J/mol×K | [593.64; 791.59] |
|
| Cp,gas | 462.20 | J/mol×K | 593.64 | Joback Calculated Property |
| Cp,gas | 478.16 | J/mol×K | 626.63 | Joback Calculated Property |
| Cp,gas | 493.19 | J/mol×K | 659.62 | Joback Calculated Property |
| Cp,gas | 507.32 | J/mol×K | 692.62 | Joback Calculated Property |
| Cp,gas | 520.60 | J/mol×K | 725.61 | Joback Calculated Property |
| Cp,gas | 533.07 | J/mol×K | 758.60 | Joback Calculated Property |
| Cp,gas | 544.76 | J/mol×K | 791.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-fluoro-N-ethyl-N-isobutyl-.
Sources
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