- InChI
- InChI=1S/C12H14F3NO/c1-2-3-9-16(11(17)12(13,14)15)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
- InChI Key
- NPRVYZWJDSWWJG-UHFFFAOYSA-N
- Formula
- C12H14F3NO
- SMILES
- CCCCN(C(=O)C(F)(F)F)c1ccccc1
- Molecular Weight1
- 245.24
- Other Names
-
- N-Butylaniline, TFA
- 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).
- 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° | -437.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.382 | Crippen Calculated Property | |
| McVol | 173.040 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Tboil | 561.53 | K | Joback Calculated Property |
| Tc | 750.28 | K | Joback Calculated Property |
| Tfus | 338.01 | K | Joback Calculated Property |
| Vc | 0.666 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.97; 507.32] | J/mol×K | [561.53; 750.28] | 
|
| Cp,gas | 431.97 | J/mol×K | 561.53 | Joback Calculated Property |
| Cp,gas | 446.77 | J/mol×K | 592.99 | Joback Calculated Property |
| Cp,gas | 460.61 | J/mol×K | 624.45 | Joback Calculated Property |
| Cp,gas | 473.53 | J/mol×K | 655.91 | Joback Calculated Property |
| Cp,gas | 485.58 | J/mol×K | 687.37 | Joback Calculated Property |
| Cp,gas | 496.83 | J/mol×K | 718.82 | Joback Calculated Property |
| Cp,gas | 507.32 | J/mol×K | 750.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetamide, n-butyl-N-phenyl-.
Sources
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