- InChI
- InChI=1S/C14H19ClFNO/c1-2-3-4-5-6-10-17-14(18)11-8-7-9-12(15)13(11)16/h7-9H,2-6,10H2,1H3,(H,17,18)
- InChI Key
- IUQFNYWUYDZIDH-UHFFFAOYSA-N
- Formula
- C14H19ClFNO
- SMILES
- CCCCCCCN=C(O)c1cccc(Cl)c1F
- Molecular Weight1
- 271.76
- 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 | 0.8803 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -455.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.754 | Crippen Calculated Property | |
| McVol | 209.920 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Inp | [2075.00; 2075.00] |
|
|
| Inp | 2075.00 | NIST | |
| Inp | 2075.00 | NIST | |
| Tboil | 609.99 | K | Relay (1.0) Calculated Property |
| Tc | 826.40 | K | Relay (1.0) Calculated Property |
| Tfus | 367.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-heptyl-.
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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