- InChI
- InChI=1S/C25H40F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(30)21-18-19-22(26)24(28)23(21)27/h18-19H,2-17,20H2,1H3,(H,29,30)
- InChI Key
- VJMPTDXPPMKDEH-UHFFFAOYSA-N
- Formula
- C25H40F3NO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(
F)c(F)c1F - Molecular Weight1
- 427.59
- 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° | -380.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.24 | kJ/mol | Joback Calculated Property |
| log10WS | -9.93 | Crippen Calculated Property | |
| logPoct/wat | 8.095 | Crippen Calculated Property | |
| McVol | 356.210 | ml/mol | McGowan Calculated Property |
| Pc | 869.65 | kPa | Joback Calculated Property |
| Inp | [2970.00; 2970.00] |
|
|
| Inp | 2970.00 | NIST | |
| Inp | 2970.00 | NIST | |
| Tboil | 914.87 | K | Joback Calculated Property |
| Tc | 1121.08 | K | Joback Calculated Property |
| Tfus | 539.85 | K | Joback Calculated Property |
| Vc | 1.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1184.05; 1280.16] | J/mol×K | [914.87; 1121.08] |
|
| Cp,gas | 1184.05 | J/mol×K | 914.87 | Joback Calculated Property |
| Cp,gas | 1202.93 | J/mol×K | 949.24 | Joback Calculated Property |
| Cp,gas | 1220.57 | J/mol×K | 983.61 | Joback Calculated Property |
| Cp,gas | 1237.06 | J/mol×K | 1017.98 | Joback Calculated Property |
| Cp,gas | 1252.44 | J/mol×K | 1052.34 | Joback Calculated Property |
| Cp,gas | 1266.79 | J/mol×K | 1086.71 | Joback Calculated Property |
| Cp,gas | 1280.16 | J/mol×K | 1121.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-octadecyl-.
Sources
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