- InChI
- InChI=1S/C12H14F3NO/c1-3-16(4-2)11(17)9-6-5-7-10(8-9)12(13,14)15/h5-8H,3-4H2,1-2H3
- InChI Key
- MSFWJWHVBDTGRO-UHFFFAOYSA-N
- Formula
- C12H14F3NO
- SMILES
- CCN(CC)C(=O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 245.24
- 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° | -446.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.187 | Crippen Calculated Property | |
| McVol | 173.040 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | [1625.00; 1625.00] |
|
|
| Inp | 1625.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Tboil | 566.51 | K | Joback Calculated Property |
| Tc | 756.25 | K | Joback Calculated Property |
| Tfus | 350.53 | K | Joback Calculated Property |
| Vc | 0.666 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.98; 506.11] | J/mol×K | [566.51; 756.25] |
|
| Cp,gas | 431.98 | J/mol×K | 566.51 | Joback Calculated Property |
| Cp,gas | 446.48 | J/mol×K | 598.13 | Joback Calculated Property |
| Cp,gas | 460.06 | J/mol×K | 629.76 | Joback Calculated Property |
| Cp,gas | 472.77 | J/mol×K | 661.38 | Joback Calculated Property |
| Cp,gas | 484.65 | J/mol×K | 693.00 | Joback Calculated Property |
| Cp,gas | 495.75 | J/mol×K | 724.63 | Joback Calculated Property |
| Cp,gas | 506.11 | J/mol×K | 756.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-trifluoromethyl-N,N-diethyl-.
Sources
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