- InChI
- InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
- InChI Key
- TUPUHSXMDIWJQT-UHFFFAOYSA-N
- Formula
- C8H8F3NO
- SMILES
- NCc1cccc(OC(F)(F)F)c1
- Molecular Weight1
- 191.15
- CAS
- 93071-75-1
- 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° | -500.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 2.044 | Crippen Calculated Property | |
| McVol | 120.980 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Tboil | 503.63 | K | Joback Calculated Property |
| Tc | 705.66 | K | Joback Calculated Property |
| Tfus | 328.54 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.68; 338.06] | J/mol×K | [503.63; 705.66] | 
|
| Cp,gas | 279.68 | J/mol×K | 503.63 | Joback Calculated Property |
| Cp,gas | 291.12 | J/mol×K | 537.30 | Joback Calculated Property |
| Cp,gas | 301.85 | J/mol×K | 570.97 | Joback Calculated Property |
| Cp,gas | 311.87 | J/mol×K | 604.64 | Joback Calculated Property |
| Cp,gas | 321.23 | J/mol×K | 638.32 | Joback Calculated Property |
| Cp,gas | 329.95 | J/mol×K | 671.99 | Joback Calculated Property |
| Cp,gas | 338.06 | J/mol×K | 705.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Trifluoromethoxy)benzylamine.
Sources
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