- InChI
- InChI=1S/C7H7F3N2/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H,11-12H2
- InChI Key
- ZQQOGBKIFPCFMJ-UHFFFAOYSA-N
- Formula
- C7H7F3N2
- SMILES
- Nc1ccc(N)c(C(F)(F)F)c1
- Molecular Weight1
- 176.14
- CAS
- 364-13-6
- 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° | -347.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.870 | Crippen Calculated Property | |
| McVol | 111.000 | ml/mol | McGowan Calculated Property |
| Pc | 3950.57 | kPa | Joback Calculated Property |
| Tboil | 535.84 | K | Joback Calculated Property |
| Tc | 754.42 | K | Joback Calculated Property |
| Tfus | 390.82 | K | Joback Calculated Property |
| Vc | 0.420 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.09; 316.51] | J/mol×K | [535.84; 754.42] | 
|
| Cp,gas | 266.09 | J/mol×K | 535.84 | Joback Calculated Property |
| Cp,gas | 276.26 | J/mol×K | 572.27 | Joback Calculated Property |
| Cp,gas | 285.66 | J/mol×K | 608.70 | Joback Calculated Property |
| Cp,gas | 294.34 | J/mol×K | 645.13 | Joback Calculated Property |
| Cp,gas | 302.35 | J/mol×K | 681.56 | Joback Calculated Property |
| Cp,gas | 309.72 | J/mol×K | 717.99 | Joback Calculated Property |
| Cp,gas | 316.51 | J/mol×K | 754.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Trifluoromethyl)-1,4-phenyldiamine.
Sources
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