- InChI
- InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
- InChI Key
- ODGIMMLDVSWADK-UHFFFAOYSA-N
- Formula
- C7H6F3N
- SMILES
- Nc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 161.12
- CAS
- 455-14-1
- Other Names
-
- p-Aminobenzotrifluoride
- 4-Aminobenzotrifluoride
- 4-Amino-«alpha»,«alpha»,«alpha»-benzotrifluoride
- p-Amino-«alpha»,«alpha»,«alpha»-trifluorotoluene
- p-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-
- p-(Trifluoromethyl)aniline
- 4-(Trifluoromethyl)aniline
- 4-(Trifluoromethyl)benzenamine
- «alpha»,«alpha»,«alpha»-Trifluoro-p-toluidine
- «alpha»,«alpha»,«alpha»-Trifluoro-p-anisidine
- Aniline, p-(trifluoromethyl)-
- 4-Aminobenzotrifluororide
- 1-Amino-4-(trifluoromethyl)benzene
- NSC 10337
- 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).
- Inp : Non-polar retention indices.
- 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° | -404.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.288 | Crippen Calculated Property | |
| McVol | 101.020 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Inp | [1045.90; 1045.90] |
|
|
| Inp | 1045.90 | NIST | |
| Inp | 1045.90 | NIST | |
| Tboil | 458.33 | K | Joback Calculated Property |
| Tc | 664.73 | K | Joback Calculated Property |
| Tfus | 295.04 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.15; 269.98] | J/mol×K | [458.33; 664.73] |
|
| Cp,gas | 216.15 | J/mol×K | 458.33 | Joback Calculated Property |
| Cp,gas | 226.94 | J/mol×K | 492.73 | Joback Calculated Property |
| Cp,gas | 236.95 | J/mol×K | 527.13 | Joback Calculated Property |
| Cp,gas | 246.21 | J/mol×K | 561.53 | Joback Calculated Property |
| Cp,gas | 254.78 | J/mol×K | 595.93 | Joback Calculated Property |
| Cp,gas | 262.69 | J/mol×K | 630.33 | Joback Calculated Property |
| Cp,gas | 269.98 | J/mol×K | 664.73 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [356.20; 390.60] | K | [1.60; 8.00] |
|
| Tboilr | 356.20 | K | 1.60 | NIST |
| Tboilr | 390.60 | K | 8.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 4-(trifluoromethyl)-.
Sources
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