- InChI
- InChI=1S/C8H7F4N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
- InChI Key
- WIQWADYBGSRGCF-UHFFFAOYSA-N
- Formula
- C8H7F4N
- SMILES
- NCc1cc(C(F)(F)F)ccc1F
- Molecular Weight1
- 193.14
- CAS
- 199296-61-2
- 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).
- 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 | 0.4602 | Relay (1.0) Calculated Property | |
| ΔfG° | -600.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.303 | Crippen Calculated Property | |
| McVol | 116.880 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Tboil | 455.52 | K | Relay (1.0) Calculated Property |
| Tc | 653.11 | K | Relay (1.0) Calculated Property |
| Tfus | 328.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.44; 320.60] | J/mol×K | [485.46; 679.96] | 
|
| Cp,gas | 265.44 | J/mol×K | 485.46 | Joback Calculated Property |
| Cp,gas | 276.27 | J/mol×K | 517.88 | Joback Calculated Property |
| Cp,gas | 286.40 | J/mol×K | 550.29 | Joback Calculated Property |
| Cp,gas | 295.87 | J/mol×K | 582.71 | Joback Calculated Property |
| Cp,gas | 304.70 | J/mol×K | 615.12 | Joback Calculated Property |
| Cp,gas | 312.94 | J/mol×K | 647.54 | Joback Calculated Property |
| Cp,gas | 320.60 | J/mol×K | 679.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-(trifluoromethyl)benzylamine.
Sources
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