- InChI
- InChI=1S/C15H21F2NO/c1-2-3-4-5-6-7-10-18-15(19)13-11-12(16)8-9-14(13)17/h8-9,11H,2-7,10H2,1H3,(H,18,19)
- InChI Key
- LBHDFTOMEUCZBR-UHFFFAOYSA-N
- Formula
- C15H21F2NO
- SMILES
- CCCCCCCCNC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 269.33
- 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 | 0.7797 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.055 | Crippen Calculated Property | |
| McVol | 213.540 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | [1957.00; 1957.00] |
|
|
| Inp | 1957.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Tboil | 588.58 | K | Relay (1.0) Calculated Property |
| Tc | 807.77 | K | Relay (1.0) Calculated Property |
| Tfus | 326.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.24; 668.52] | J/mol×K | [681.82; 868.78] |
|
| Cp,gas | 590.24 | J/mol×K | 681.82 | Joback Calculated Property |
| Cp,gas | 605.23 | J/mol×K | 712.98 | Joback Calculated Property |
| Cp,gas | 619.40 | J/mol×K | 744.14 | Joback Calculated Property |
| Cp,gas | 632.79 | J/mol×K | 775.30 | Joback Calculated Property |
| Cp,gas | 645.42 | J/mol×K | 806.46 | Joback Calculated Property |
| Cp,gas | 657.32 | J/mol×K | 837.62 | Joback Calculated Property |
| Cp,gas | 668.52 | J/mol×K | 868.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-difluoro-N-octyl-.
Sources
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