- InChI
- InChI=1S/C13H18FNO/c1-3-5-9-15(4-2)13(16)11-7-6-8-12(14)10-11/h6-8,10H,3-5,9H2,1-2H3
- InChI Key
- QKRKWAHGTKVBIS-UHFFFAOYSA-N
- Formula
- C13H18FNO
- SMILES
- CCCCN(CC)C(=O)c1cccc(F)c1
- Molecular Weight1
- 223.29
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6054 | Relay (1.0) Calculated Property | |
| ΔfG° | -51.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 183.590 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Inp | [1837.00; 1837.00] |
|
|
| Inp | 1837.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Tboil | 565.67 | K | Relay (1.0) Calculated Property |
| Tc | 752.10 | K | Relay (1.0) Calculated Property |
| Tfus | 265.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.82; 542.87] | J/mol×K | [594.08; 788.27] |
|
| Cp,gas | 461.82 | J/mol×K | 594.08 | Joback Calculated Property |
| Cp,gas | 477.42 | J/mol×K | 626.44 | Joback Calculated Property |
| Cp,gas | 492.14 | J/mol×K | 658.81 | Joback Calculated Property |
| Cp,gas | 506.01 | J/mol×K | 691.17 | Joback Calculated Property |
| Cp,gas | 519.06 | J/mol×K | 723.54 | Joback Calculated Property |
| Cp,gas | 531.33 | J/mol×K | 755.90 | Joback Calculated Property |
| Cp,gas | 542.87 | J/mol×K | 788.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-N-butyl-N-ethyl-.
Sources
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