- InChI
- InChI=1S/C13H17ClFNO/c1-2-3-4-5-9-16-13(17)10-7-6-8-11(14)12(10)15/h6-8H,2-5,9H2,1H3,(H,16,17)
- InChI Key
- GXRPDIYYIRZGBX-UHFFFAOYSA-N
- Formula
- C13H17ClFNO
- SMILES
- CCCCCCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 257.73
- 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° | -94.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 3.789 | Crippen Calculated Property | |
| McVol | 195.830 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | [1965.00; 1965.00] |
|
|
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Tboil | 674.22 | K | Joback Calculated Property |
| Tc | 876.08 | K | Joback Calculated Property |
| Tfus | 420.83 | K | Joback Calculated Property |
| Vc | 0.763 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.99; 575.54] | J/mol×K | [674.22; 876.08] |
|
| Cp,gas | 504.99 | J/mol×K | 674.22 | Joback Calculated Property |
| Cp,gas | 518.68 | J/mol×K | 707.86 | Joback Calculated Property |
| Cp,gas | 531.56 | J/mol×K | 741.51 | Joback Calculated Property |
| Cp,gas | 543.66 | J/mol×K | 775.15 | Joback Calculated Property |
| Cp,gas | 555.00 | J/mol×K | 808.79 | Joback Calculated Property |
| Cp,gas | 565.62 | J/mol×K | 842.44 | Joback Calculated Property |
| Cp,gas | 575.54 | J/mol×K | 876.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-hexyl-.
Sources
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