- InChI
- InChI=1S/C15H22FNO/c1-2-3-4-5-6-7-11-17-15(18)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3,(H,17,18)
- InChI Key
- PGKTXYJWROIJGF-UHFFFAOYSA-N
- Formula
- C15H22FNO
- SMILES
- CCCCCCCCN=C(O)c1cccc(F)c1
- Molecular Weight1
- 251.34
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.8966 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -470.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.491 | Crippen Calculated Property | |
| McVol | 211.770 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | [2053.00; 2053.00] |
|
|
| Inp | 2053.00 | NIST | |
| Inp | 2053.00 | NIST | |
| Tboil | 610.84 | K | Relay (1.0) Calculated Property |
| Tc | 807.91 | K | Relay (1.0) Calculated Property |
| Tfus | 347.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-N-octyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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