- InChI
- InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2
- InChI Key
- CDIDGWDGQGVCIB-UHFFFAOYSA-N
- Formula
- C8H5F6N
- SMILES
- Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
- Molecular Weight1
- 229.12
- CAS
- 328-74-5
- Other Names
-
- 3,5-Bis(trifluoromethyl)aniline
- 3,5-Bis(trifluoromethyl)benzenamine
- «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-Hexafluoro-3,5-xylidine
- 3,5-Xylidine, «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-hexafluoro-
- 3,5-di(Trifluoromethyl)aniline
- Aniline, 3,5-bis(trifluoromethyl)-
- 3,5-Xylidine, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
- alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidine
- 3,5-Bis-trifluoromethyl-phenylamine
- NSC 3411
- 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).
- 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° | -987.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1155.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.15 | kJ/mol | Joback Calculated Property |
| IE | 8.59 | eV | NIST |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 120.420 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | 1057.80 | NIST | |
| Tboil | 480.77 | K | Joback Calculated Property |
| Tc | 667.48 | K | Joback Calculated Property |
| Tfus | 323.02 | K | Joback Calculated Property |
| Vc | 0.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.29; 338.71] | J/mol×K | [480.77; 667.48] | 
|
| Cp,gas | 285.29 | J/mol×K | 480.77 | Joback Calculated Property |
| Cp,gas | 296.04 | J/mol×K | 511.89 | Joback Calculated Property |
| Cp,gas | 306.00 | J/mol×K | 543.01 | Joback Calculated Property |
| Cp,gas | 315.19 | J/mol×K | 574.13 | Joback Calculated Property |
| Cp,gas | 323.68 | J/mol×K | 605.25 | Joback Calculated Property |
| Cp,gas | 331.50 | J/mol×K | 636.37 | Joback Calculated Property |
| Cp,gas | 338.71 | J/mol×K | 667.48 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [358.00; 358.20] | K | [2.00; 2.00] |
|
| Tboilr | 358.00 | K | 2.00 | NIST |
| Tboilr | 358.20 | K | 2.00 | NIST |
| Tboilr | 358.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 3,5-bis(trifluoromethyl)-.
Sources
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