- InChI
- InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
- InChI Key
- DRKWGMXFFCPZLW-UHFFFAOYSA-N
- Formula
- C7H5F4N
- SMILES
- Nc1cc(C(F)(F)F)ccc1F
- Molecular Weight1
- 179.11
- CAS
- 535-52-4
- Other Names
-
- 3-Amino-4-fluorobenzotrifluoride
- Alpha,alpha,alpha,6-tetrafluoro-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° | -608.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.427 | Crippen Calculated Property | |
| McVol | 102.790 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | 462.58 | K | Joback Calculated Property |
| Tc | 659.44 | K | Joback Calculated Property |
| Tfus | 308.15 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.78; 274.32] | J/mol×K | [462.58; 659.44] | 
|
| Cp,gas | 224.78 | J/mol×K | 462.58 | Joback Calculated Property |
| Cp,gas | 234.58 | J/mol×K | 495.39 | Joback Calculated Property |
| Cp,gas | 243.72 | J/mol×K | 528.20 | Joback Calculated Property |
| Cp,gas | 252.24 | J/mol×K | 561.01 | Joback Calculated Property |
| Cp,gas | 260.15 | J/mol×K | 593.82 | Joback Calculated Property |
| Cp,gas | 267.50 | J/mol×K | 626.63 | Joback Calculated Property |
| Cp,gas | 274.32 | J/mol×K | 659.44 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to «alpha»,«alpha»,«alpha»,6-Tetrafluoro-m-toluidine.
Sources
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