- InChI
- InChI=1S/C5Cl5F7O/c6-2(7,13)5(16,17)18-3(8,9)1(11,12)4(10,14)15
- InChI Key
- CIARXPIAQOCSCO-UHFFFAOYSA-N
- Formula
- C5Cl5F7O
- SMILES
-
FC(F)(Cl)C(F)(F)C(Cl)(Cl)OC(F)
(F)C(F)(Cl)Cl - Molecular Weight1
- 386.30
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -1537.00 ± 4.60 | kJ/mol | NIST |
| ΔfH°gas | -1752.50 ± 6.50 | kJ/mol | NIST |
| ΔfH°liquid | -1805.00 ± 4.60 | kJ/mol | NIST |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.70 ± 0.80 | kJ/mol | NIST |
| logPoct/wat | 5.295 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Tboil | 425.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 45.30 | kJ/mol | 405.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.07; 393.97] | 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 | 8.57000e+00 | |||
| Coefficient B | 1.16120e+00 | |||
| Coefficient C | -1.21300e-03 | |||
| Coefficient D | 4.37200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 244.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 344.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 387.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 390.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 393.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichlorotrifluoroethyl 1,1,3-trichlorotetrafluoropropyl ether.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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