- InChI
- InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2
- InChI Key
- HOTZLWVITTVZGY-UHFFFAOYSA-N
- Formula
- C7H5F3N2O2
- SMILES
-
Nc1ccc([N+](=O)[O-])cc1C(F)(F)
F - Molecular Weight1
- 206.12
- CAS
- 121-01-7
- Other Names
-
- 4-Nitro-a,a,a-trifluoro-o-toluidine
- Benzenamine, 4-nitro-2-(trifluoromethyl)-
- 4-nitro-«alpha»,«alpha»,«alpha»-trifluoro-o-toluidine
- 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° | -378.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.196 | Crippen Calculated Property | |
| McVol | 118.440 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Tboil | 615.15 | K | Joback Calculated Property |
| Tc | 851.35 | K | Joback Calculated Property |
| Tfus | 451.17 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.10; 343.01] | J/mol×K | [615.15; 851.35] | 
|
| Cp,gas | 298.10 | J/mol×K | 615.15 | Joback Calculated Property |
| Cp,gas | 307.46 | J/mol×K | 654.52 | Joback Calculated Property |
| Cp,gas | 315.99 | J/mol×K | 693.88 | Joback Calculated Property |
| Cp,gas | 323.75 | J/mol×K | 733.25 | Joback Calculated Property |
| Cp,gas | 330.80 | J/mol×K | 772.62 | Joback Calculated Property |
| Cp,gas | 337.20 | J/mol×K | 811.98 | Joback Calculated Property |
| Cp,gas | 343.01 | J/mol×K | 851.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-5-nitrobenzotrifluoride.
Sources
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