- InChI
- InChI=1S/C16H23ClFNO/c1-2-3-4-5-6-7-8-12-19-16(20)13-10-9-11-14(17)15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20)
- InChI Key
- WAZGRIMSGNAZJO-UHFFFAOYSA-N
- Formula
- C16H23ClFNO
- SMILES
- CCCCCCCCCN=C(O)c1cccc(Cl)c1F
- Molecular Weight1
- 299.81
- 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 | 0.9552 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -499.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.534 | Crippen Calculated Property | |
| McVol | 238.100 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | [2289.00; 2289.00] |
|
|
| Inp | 2289.00 | NIST | |
| Inp | 2289.00 | NIST | |
| Tboil | 624.26 | K | Relay (1.0) Calculated Property |
| Tc | 845.01 | K | Relay (1.0) Calculated Property |
| Tfus | 371.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.868 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-nonyl-.
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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