- InChI
- InChI=1S/C23H36F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(28)19-16-17-20(24)22(26)21(19)25/h16-17H,2-15,18H2,1H3,(H,27,28)
- InChI Key
- YXKQVCQLJKJEBN-UHFFFAOYSA-N
- Formula
- C23H36F3NO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)c1ccc(F)
c(F)c1F - Molecular Weight1
- 399.53
- 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° | -397.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.78 | kJ/mol | Joback Calculated Property |
| log10WS | -9.09 | Crippen Calculated Property | |
| logPoct/wat | 7.315 | Crippen Calculated Property | |
| McVol | 328.030 | ml/mol | McGowan Calculated Property |
| Pc | 977.17 | kPa | Joback Calculated Property |
| Inp | [2759.00; 2759.00] |
|
|
| Inp | 2759.00 | NIST | |
| Inp | 2759.00 | NIST | |
| Tboil | 869.11 | K | Joback Calculated Property |
| Tc | 1064.18 | K | Joback Calculated Property |
| Tfus | 517.31 | K | Joback Calculated Property |
| Vc | 1.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1060.17; 1151.65] | J/mol×K | [869.11; 1064.18] |
|
| Cp,gas | 1060.17 | J/mol×K | 869.11 | Joback Calculated Property |
| Cp,gas | 1077.95 | J/mol×K | 901.62 | Joback Calculated Property |
| Cp,gas | 1094.66 | J/mol×K | 934.13 | Joback Calculated Property |
| Cp,gas | 1110.33 | J/mol×K | 966.64 | Joback Calculated Property |
| Cp,gas | 1125.03 | J/mol×K | 999.16 | Joback Calculated Property |
| Cp,gas | 1138.78 | J/mol×K | 1031.67 | Joback Calculated Property |
| Cp,gas | 1151.65 | J/mol×K | 1064.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-hexadecyl-.
Sources
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