- InChI
- InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
- InChI Key
- XRGSSROOYSFMMS-UHFFFAOYSA-N
- Formula
- C8H7F3O2
- SMILES
- OCc1cccc(OC(F)(F)F)c1
- Molecular Weight1
- 192.14
- CAS
- 50823-90-0
- Other Names
-
- 3-(Trifluoromethoxy) benzyl alcohol
- 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 | 0.6445 | Relay (1.0) Calculated Property | |
| ΔfG° | -704.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.078 | Crippen Calculated Property | |
| McVol | 116.870 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Tboil | 457.96 | K | Relay (1.0) Calculated Property |
| Tc | 648.61 | K | Relay (1.0) Calculated Property |
| Tfus | 234.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.04; 322.88] | J/mol×K | [523.28; 704.09] | 
|
| Cp,gas | 274.04 | J/mol×K | 523.28 | Joback Calculated Property |
| Cp,gas | 283.48 | J/mol×K | 553.41 | Joback Calculated Property |
| Cp,gas | 292.38 | J/mol×K | 583.55 | Joback Calculated Property |
| Cp,gas | 300.74 | J/mol×K | 613.68 | Joback Calculated Property |
| Cp,gas | 308.60 | J/mol×K | 643.82 | Joback Calculated Property |
| Cp,gas | 315.97 | J/mol×K | 673.95 | Joback Calculated Property |
| Cp,gas | 322.88 | J/mol×K | 704.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Trifluoromethoxybenzyl alcohol.
Sources
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