- InChI
- InChI=1S/C21H29F6NO/c1-2-3-4-5-6-7-8-9-10-11-14-28-19(29)17-15-16(20(22,23)24)12-13-18(17)21(25,26)27/h12-13,15H,2-11,14H2,1H3,(H,28,29)
- InChI Key
- QRVNQEHEIMZZEJ-UHFFFAOYSA-N
- Formula
- C21H29F6NO
- SMILES
-
CCCCCCCCCCCCNC(=O)c1cc(C(F)(F)
F)ccc1C(F)(F)F - Molecular Weight1
- 425.45
- 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° | -983.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1516.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.63 | kJ/mol | Joback Calculated Property |
| log10WS | -8.63 | Crippen Calculated Property | |
| logPoct/wat | 7.375 | Crippen Calculated Property | |
| McVol | 305.160 | ml/mol | McGowan Calculated Property |
| Pc | 1048.01 | kPa | Joback Calculated Property |
| Inp | 2238.00 | NIST | |
| Tboil | 809.72 | K | Joback Calculated Property |
| Tc | 993.84 | K | Joback Calculated Property |
| Tfus | 488.86 | K | Joback Calculated Property |
| Vc | 1.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.99; 1047.07] | J/mol×K | [809.72; 993.84] | 
|
| Cp,gas | 963.99 | J/mol×K | 809.72 | Joback Calculated Property |
| Cp,gas | 979.95 | J/mol×K | 840.41 | Joback Calculated Property |
| Cp,gas | 994.97 | J/mol×K | 871.09 | Joback Calculated Property |
| Cp,gas | 1009.12 | J/mol×K | 901.78 | Joback Calculated Property |
| Cp,gas | 1022.48 | J/mol×K | 932.47 | Joback Calculated Property |
| Cp,gas | 1035.11 | J/mol×K | 963.16 | Joback Calculated Property |
| Cp,gas | 1047.07 | J/mol×K | 993.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-di(trifluoromethyl)-N-dodecyl-.
Sources
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