- InChI
- InChI=1S/C11H21F3O/c1-3-4-5-6-7-8-9-15-10(2)11(12,13)14/h10H,3-9H2,1-2H3
- InChI Key
- UBUIQVZDLONGTK-UHFFFAOYSA-N
- Formula
- C11H21F3O
- SMILES
- CCCCCCCCOC(C)C(F)(F)F
- Molecular Weight1
- 226.28
- CAS
- 3540-04-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.5691 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1035.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.314 | Crippen Calculated Property | |
| McVol | 177.030 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Tboil | 448.12 | K | Relay (1.0) Calculated Property |
| Tc | 582.15 | K | Relay (1.0) Calculated Property |
| Tfus | 215.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.06; 628.55] | 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 | 1.05070e+01 | |||
| Coefficient B | 1.15274e+00 | |||
| Coefficient C | -6.87800e-04 | |||
| Coefficient D | 1.53100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 277.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 394.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 442.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 485.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 523.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 555.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 583.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 607.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 628.55 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ether, octyl 2,2,2-trifluoro-1-methylethyl, (±)-.
Sources
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