- InChI
- InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
- InChI Key
- CVINWVPRKDIGLL-UHFFFAOYSA-N
- Formula
- C7H5ClF3N
- SMILES
- Nc1ccc(Cl)cc1C(F)(F)F
- Molecular Weight1
- 195.57
- CAS
- 445-03-4
- Other Names
-
- o-Toluidine, 4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- C.I. Azoic Diazo Component 17
- C.I. 37055
- Diazo Fast Scarlet VD
- Fast Scarlet Salt VD
- Fast Scarlet VD Salt
- Scarlet Salt NVD
- 4-Chloro-2-(trifluoromethyl)aniline
- 2-Amino-5-chlorobenzotrifluoride
- 5-Chloro-2-aminobenzotrifluoride
- 2-Trifluoromethyl-4-chloroaniline
- 4-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-o-toluidine
- 5-Chloro-2-aminotrifluorotoluene
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4603 | Relay (1.0) Calculated Property | |
| ΔfG° | -425.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) 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 | 486.53 | K | Relay (1.0) Calculated Property |
| Tc | 684.21 | K | Relay (1.0) Calculated Property |
| Tfus | 302.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) 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 | [339.70; 360.50] | K | [0.40; 1.30] |
|
| Tboilr | 339.70 | K | 0.40 | NIST |
| Tboilr | 350.00 ± 1.00 | K | 0.45 | NIST |
| Tboilr | 360.50 ± 0.50 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 4-chloro-2-(trifluoromethyl)-.
Sources
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