- InChI
- InChI=1S/C15H21ClFNO/c1-2-3-4-5-6-7-11-18-15(19)12-9-8-10-13(16)14(12)17/h8-10H,2-7,11H2,1H3,(H,18,19)
- InChI Key
- UGGKOLYDYUUVPO-UHFFFAOYSA-N
- Formula
- C15H21ClFNO
- SMILES
- CCCCCCCCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 285.79
- 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 | 0.7825 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.569 | Crippen Calculated Property | |
| McVol | 224.010 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 601.94 | K | Relay (1.0) Calculated Property |
| Tc | 836.91 | K | Relay (1.0) Calculated Property |
| Tfus | 326.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.87; 686.21] | J/mol×K | [719.98; 917.66] |
|
| Cp,gas | 610.87 | J/mol×K | 719.98 | Joback Calculated Property |
| Cp,gas | 625.47 | J/mol×K | 752.93 | Joback Calculated Property |
| Cp,gas | 639.20 | J/mol×K | 785.87 | Joback Calculated Property |
| Cp,gas | 652.11 | J/mol×K | 818.82 | Joback Calculated Property |
| Cp,gas | 664.23 | J/mol×K | 851.76 | Joback Calculated Property |
| Cp,gas | 675.58 | J/mol×K | 884.71 | Joback Calculated Property |
| Cp,gas | 686.21 | J/mol×K | 917.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-octyl-.
Sources
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