- InChI
- InChI=1S/C23H34F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-23(30)17-18(24)20(26)22(28)21(27)19(17)25/h2-16H2,1H3,(H,29,30)
- InChI Key
- QOOUHTXRPVWVEG-UHFFFAOYSA-N
- Formula
- C23H34F5NO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)c1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 435.51
- 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 | 1.1195 | Relay (... Calculated Property | |
| ΔfG° | -806.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1190.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.57 | eV | Relay (... Calculated Property |
| log10WS | -8.99 | Relay (... Calculated Property | |
| logPoct/wat | 7.593 | Crippen Calculated Property | |
| McVol | 331.570 | ml/mol | McGowan Calculated Property |
| Pc | 907.79 | kPa | Joback Calculated Property |
| Inp | [2690.00; 2690.00] |
|
|
| Inp | 2690.00 | NIST | |
| Inp | 2690.00 | NIST | |
| Tboil | 639.96 | K | Relay (... Calculated Property |
| Tc | 848.51 | K | Relay (... Calculated Property |
| Tfus | 356.25 | K | Relay (... Calculated Property |
| Vc | 1.256 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1073.89; 1163.13] | J/mol×K | [877.61; 1075.19] |
|
| Cp,gas | 1073.89 | J/mol×K | 877.61 | Joback Calculated Property |
| Cp,gas | 1091.38 | J/mol×K | 910.54 | Joback Calculated Property |
| Cp,gas | 1107.77 | J/mol×K | 943.47 | Joback Calculated Property |
| Cp,gas | 1123.10 | J/mol×K | 976.40 | Joback Calculated Property |
| Cp,gas | 1137.41 | J/mol×K | 1009.33 | Joback Calculated Property |
| Cp,gas | 1150.74 | J/mol×K | 1042.26 | Joback Calculated Property |
| Cp,gas | 1163.13 | J/mol×K | 1075.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-hexadecyl-.
Sources
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