- InChI
- InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
- InChI Key
- XUJFOSLZQITUOI-UHFFFAOYSA-N
- Formula
- C7H6F3NO
- SMILES
- Nc1ccc(OC(F)(F)F)cc1
- Molecular Weight1
- 177.12
- CAS
- 461-82-5
- Other Names
-
- p-Trifluoromethoxyaniline
- Benzenamine, 4-(trifluoromethoxy)-
- 4-(Trifluoromethoxy)aniline
- 4-(trifluoromethoxy)benzenamine
- 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 | 0.5204 | Relay (1.0) Calculated Property | |
| ΔfG° | -509.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.167 | Crippen Calculated Property | |
| McVol | 106.890 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Tboil | 459.75 | K | Relay (1.0) Calculated Property |
| Tc | 626.13 | K | Relay (1.0) Calculated Property |
| Tfus | 244.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.96; 290.81] | J/mol×K | [480.75; 685.60] | 
|
| Cp,gas | 237.96 | J/mol×K | 480.75 | Joback Calculated Property |
| Cp,gas | 248.38 | J/mol×K | 514.89 | Joback Calculated Property |
| Cp,gas | 258.12 | J/mol×K | 549.03 | Joback Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 583.18 | Joback Calculated Property |
| Cp,gas | 275.66 | J/mol×K | 617.32 | Joback Calculated Property |
| Cp,gas | 283.52 | J/mol×K | 651.46 | Joback Calculated Property |
| Cp,gas | 290.81 | J/mol×K | 685.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Aminophenyl trifluoromethyl ether.
Sources
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