- InChI
- InChI=1S/C11H12F3NO/c1-2-8-15(10(16)11(12,13)14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key
- FSMYTXOWWYDVRT-UHFFFAOYSA-N
- Formula
- C11H12F3NO
- SMILES
- CCCN(C(=O)C(F)(F)F)c1ccccc1
- Molecular Weight1
- 231.21
- Other Names
-
- N-Propylaniline, TFA
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4883 | Relay (1.0) Calculated Property | |
| ΔfG° | -445.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.992 | Crippen Calculated Property | |
| McVol | 158.950 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Tboil | 502.91 | K | Relay (1.0) Calculated Property |
| Tc | 668.80 | K | Relay (1.0) Calculated Property |
| Tfus | 248.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.24; 456.47] | J/mol×K | [538.65; 729.70] | 
|
| Cp,gas | 384.24 | J/mol×K | 538.65 | Joback Calculated Property |
| Cp,gas | 398.50 | J/mol×K | 570.49 | Joback Calculated Property |
| Cp,gas | 411.80 | J/mol×K | 602.33 | Joback Calculated Property |
| Cp,gas | 424.20 | J/mol×K | 634.17 | Joback Calculated Property |
| Cp,gas | 435.74 | J/mol×K | 666.02 | Joback Calculated Property |
| Cp,gas | 446.48 | J/mol×K | 697.86 | Joback Calculated Property |
| Cp,gas | 456.47 | J/mol×K | 729.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetamide, N-phenyl-n-propyl-.
Sources
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