- InChI
- InChI=1S/C15H22FNO/c1-4-5-9-17(11-12(2)3)15(18)13-7-6-8-14(16)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3
- InChI Key
- KQYALZYLUKUUSA-UHFFFAOYSA-N
- Formula
- C15H22FNO
- SMILES
- CCCCN(CC(C)C)C(=O)c1cccc(F)c1
- Molecular Weight1
- 251.34
- 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° | -37.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 211.770 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [1986.00; 1986.00] |
|
|
| Inp | 1986.00 | NIST | |
| Inp | 1986.00 | NIST | |
| Tboil | 639.40 | K | Joback Calculated Property |
| Tc | 832.49 | K | Joback Calculated Property |
| Tfus | 365.74 | K | Joback Calculated Property |
| Vc | 0.803 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.49; 652.92] | J/mol×K | [639.40; 832.49] |
|
| Cp,gas | 565.49 | J/mol×K | 639.40 | Joback Calculated Property |
| Cp,gas | 582.33 | J/mol×K | 671.58 | Joback Calculated Property |
| Cp,gas | 598.21 | J/mol×K | 703.76 | Joback Calculated Property |
| Cp,gas | 613.17 | J/mol×K | 735.95 | Joback Calculated Property |
| Cp,gas | 627.25 | J/mol×K | 768.13 | Joback Calculated Property |
| Cp,gas | 640.48 | J/mol×K | 800.31 | Joback Calculated Property |
| Cp,gas | 652.92 | J/mol×K | 832.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-N-butyl-N-isobutyl-.
Sources
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