- InChI
- InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
- InChI Key
- ASPDJZINBYYZRU-UHFFFAOYSA-N
- Formula
- C7H5ClF3N
- SMILES
- Nc1ccc(Cl)c(C(F)(F)F)c1
- Molecular Weight1
- 195.57
- CAS
- 320-51-4
- Other Names
-
- 5-Amino-2-chlorobenzotrifluoride
- 6-Chloro-3-aminobenzotrifluoride
- m-Toluidine, 4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- Aniline, 4-chloro-3-(trifluoromethyl)-
- 3-(Trifluoromethyl)-4-chloroaniline
- 4-Chloro-3-(trifluoromethyl)aniline
- 4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-m-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).
- Tboilr : Boiling point at reduced pressure (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° | -425.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 2.941 | Crippen Calculated Property | |
| McVol | 113.260 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Tboil | 500.74 | K | Joback Calculated Property |
| Tc | 714.25 | K | Joback Calculated Property |
| Tfus | 337.48 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.84; 287.04] | J/mol×K | [500.74; 714.25] | 
|
| Cp,gas | 239.84 | J/mol×K | 500.74 | Joback Calculated Property |
| Cp,gas | 249.38 | J/mol×K | 536.33 | Joback Calculated Property |
| Cp,gas | 258.20 | J/mol×K | 571.91 | Joback Calculated Property |
| Cp,gas | 266.33 | J/mol×K | 607.50 | Joback Calculated Property |
| Cp,gas | 273.82 | J/mol×K | 643.08 | Joback Calculated Property |
| Cp,gas | 280.71 | J/mol×K | 678.67 | Joback Calculated Property |
| Cp,gas | 287.04 | J/mol×K | 714.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.00 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 4-chloro-3-(trifluoromethyl)-.
Sources
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