- InChI
- InChI=1S/C13H18FNO/c1-2-3-4-5-9-15-13(16)11-7-6-8-12(14)10-11/h6-8,10H,2-5,9H2,1H3,(H,15,16)
- InChI Key
- WVIPUCXRWOWGSK-UHFFFAOYSA-N
- Formula
- C13H18FNO
- SMILES
- CCCCCCNC(=O)c1cccc(F)c1
- Molecular Weight1
- 223.29
- 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° | -72.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.136 | Crippen Calculated Property | |
| McVol | 183.590 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1841.00; 1841.00] |
|
|
| Inp | 1841.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Tboil | 631.81 | K | Joback Calculated Property |
| Tc | 829.04 | K | Joback Calculated Property |
| Tfus | 378.39 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.02; 554.98] | J/mol×K | [631.81; 829.04] |
|
| Cp,gas | 478.02 | J/mol×K | 631.81 | Joback Calculated Property |
| Cp,gas | 492.86 | J/mol×K | 664.68 | Joback Calculated Property |
| Cp,gas | 506.85 | J/mol×K | 697.55 | Joback Calculated Property |
| Cp,gas | 520.02 | J/mol×K | 730.43 | Joback Calculated Property |
| Cp,gas | 532.41 | J/mol×K | 763.30 | Joback Calculated Property |
| Cp,gas | 544.06 | J/mol×K | 796.17 | Joback Calculated Property |
| Cp,gas | 554.98 | J/mol×K | 829.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-N-hexyl-.
Sources
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