- InChI
- InChI=1S/C16H22F3NO/c1-4-5-10-20(11-12(2)3)15(21)13-6-8-14(9-7-13)16(17,18)19/h6-9,12H,4-5,10-11H2,1-3H3
- InChI Key
- DZNWHQICWQNXKZ-UHFFFAOYSA-N
- Formula
- C16H22F3NO
- SMILES
-
CCCCN(CC(C)C)C(=O)c1ccc(C(F)(F
)F)cc1 - Molecular Weight1
- 301.35
- 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° | -415.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 4.604 | Crippen Calculated Property | |
| McVol | 229.400 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | [1950.00; 1950.00] |
|
|
| Inp | 1950.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Tboil | 657.59 | K | Joback Calculated Property |
| Tc | 843.09 | K | Joback Calculated Property |
| Tfus | 380.61 | K | Joback Calculated Property |
| Vc | 0.884 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.66; 722.53] | J/mol×K | [657.59; 843.09] |
|
| Cp,gas | 637.66 | J/mol×K | 657.59 | Joback Calculated Property |
| Cp,gas | 654.10 | J/mol×K | 688.51 | Joback Calculated Property |
| Cp,gas | 669.55 | J/mol×K | 719.42 | Joback Calculated Property |
| Cp,gas | 684.07 | J/mol×K | 750.34 | Joback Calculated Property |
| Cp,gas | 697.70 | J/mol×K | 781.25 | Joback Calculated Property |
| Cp,gas | 710.50 | J/mol×K | 812.17 | Joback Calculated Property |
| Cp,gas | 722.53 | J/mol×K | 843.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-butyl-N-isobutyl-.
Sources
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