- InChI
- InChI=1S/C12H14F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h3-7,9H,8H2,1-2H3
- InChI Key
- AXAFMXNUGNZMCK-UHFFFAOYSA-N
- Formula
- C12H14F3NO
- SMILES
- CC(Cc1ccccc1)N(C)C(=O)C(F)(F)F
- Molecular Weight1
- 245.24
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4571 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.638 | Crippen Calculated Property | |
| McVol | 173.040 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | [1389.00; 1389.00] |
|
|
| Inp | 1389.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Tboil | 516.03 | K | Relay (1.0) Calculated Property |
| Tc | 677.99 | K | Relay (1.0) Calculated Property |
| Tfus | 262.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.30; 509.13] | J/mol×K | [561.09; 753.59] |
|
| Cp,gas | 432.30 | J/mol×K | 561.09 | Joback Calculated Property |
| Cp,gas | 447.46 | J/mol×K | 593.17 | Joback Calculated Property |
| Cp,gas | 461.60 | J/mol×K | 625.26 | Joback Calculated Property |
| Cp,gas | 474.78 | J/mol×K | 657.34 | Joback Calculated Property |
| Cp,gas | 487.06 | J/mol×K | 689.43 | Joback Calculated Property |
| Cp,gas | 498.49 | J/mol×K | 721.51 | Joback Calculated Property |
| Cp,gas | 509.13 | J/mol×K | 753.59 | Joback Calculated Property |
Similar Compounds
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Sources
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