- InChI
- InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
- InChI Key
- IGKCQDUYZULGBM-UHFFFAOYSA-N
- Formula
- C9H9F3O3S
- SMILES
- Cc1ccc(S(=O)(=O)OCC(F)(F)F)cc1
- Molecular Weight1
- 254.23
- CAS
- 433-06-7
- Other Names
-
- Ethanol, 2,2,2-trifluoro-, p-toluenesulfonate
- 2,2,2-Trifluoroethyl tosylate
- 2,2,2-Trifluoroethyl p-toluenesulfonate
- 2,2,2-Trifluoroethyl 4-toluenesulfonate
- Trifluoroethanol tosylate
- 2,2,2-trifluoroethyl p-toluenesulphonate
- 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° | -1027.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1186.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 153.180 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 501.76 | K | Joback Calculated Property |
| Tc | 685.24 | K | Joback Calculated Property |
| Tfus | 295.11 | K | Joback Calculated Property |
| Vc | 0.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.21; 410.36] | J/mol×K | [501.76; 685.24] | 
|
| Cp,gas | 344.21 | J/mol×K | 501.76 | Joback Calculated Property |
| Cp,gas | 356.91 | J/mol×K | 532.34 | Joback Calculated Property |
| Cp,gas | 368.93 | J/mol×K | 562.92 | Joback Calculated Property |
| Cp,gas | 380.27 | J/mol×K | 593.50 | Joback Calculated Property |
| Cp,gas | 390.95 | J/mol×K | 624.08 | Joback Calculated Property |
| Cp,gas | 400.97 | J/mol×K | 654.66 | Joback Calculated Property |
| Cp,gas | 410.36 | J/mol×K | 685.24 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 362.50 ± 0.50 | K | 0.01 | NIST |
Similar Compounds
Find more compounds similar to Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate.
Sources
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