- InChI
- InChI=1S/C18H27F2NO/c1-2-3-4-5-6-7-8-9-10-13-21-18(22)16-14-15(19)11-12-17(16)20/h11-12,14H,2-10,13H2,1H3,(H,21,22)
- InChI Key
- WQANEXWCWSDWQS-UHFFFAOYSA-N
- Formula
- C18H27F2NO
- SMILES
- CCCCCCCCCCCNC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 311.41
- 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 | 0.8926 | Relay (... Calculated Property | |
| ΔfG° | -235.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.34 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -6.32 | Relay (... Calculated Property | |
| logPoct/wat | 5.225 | Crippen Calculated Property | |
| McVol | 255.810 | ml/mol | McGowan Calculated Property |
| Pc | 1414.37 | kPa | Joback Calculated Property |
| Inp | [2276.00; 2276.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2276.00 | NIST | |
| Tboil | 614.01 | K | Relay (... Calculated Property |
| Tc | 837.18 | K | Relay (... Calculated Property |
| Tfus | 336.22 | K | Relay (... Calculated Property |
| Vc | 0.962 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.51; 840.71] | J/mol×K | [750.46; 935.88] |
|
| Cp,gas | 756.51 | J/mol×K | 750.46 | Joback Calculated Property |
| Cp,gas | 772.66 | J/mol×K | 781.36 | Joback Calculated Property |
| Cp,gas | 787.91 | J/mol×K | 812.27 | Joback Calculated Property |
| Cp,gas | 802.31 | J/mol×K | 843.17 | Joback Calculated Property |
| Cp,gas | 815.89 | J/mol×K | 874.08 | Joback Calculated Property |
| Cp,gas | 828.68 | J/mol×K | 904.98 | Joback Calculated Property |
| Cp,gas | 840.71 | J/mol×K | 935.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-difluoro-N-undecyl-.
Sources
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