- InChI
- InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
- InChI Key
- UGEJOEBBMPOJMT-UHFFFAOYSA-N
- Formula
- C7H5F3O
- SMILES
- Oc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 162.11
- Other Names
-
- m-Cresol, «alpha»,«alpha»,«alpha»-trifluoro-
- «alpha»,«alpha»,«alpha»-Trifluoro-m-cresol
- m-(Trifluoromethyl)phenol
- m-Hydroxybenzotrifluoride
- 3-(Trifluoromethyl)phenol
- 3-Hydroxybenzotrifluoride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 | 0.4797 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3193.90 | kJ/mol | NIST |
| ΔfG° | -615.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.411 | Crippen Calculated Property | |
| McVol | 96.910 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Tboil | [451.00; 451.50] | K |
|
| Tboil | 451.00 | K | NIST |
| Tboil | 451.20 | K | NIST |
| Tboil | 451.50 ± 0.50 | K | NIST |
| Tc | 651.06 | K | Relay (1.0) Calculated Property |
| Tfus | 332.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.75; 307.04] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.25000e+01 | |||
| Coefficient B | 9.05700e-01 | |||
| Coefficient C | -8.65560e-04 | |||
| Coefficient D | 3.19400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 173.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 203.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 247.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 275.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 296.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 307.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-(trifluoromethyl)-.
Sources
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