- InChI
- InChI=1S/C7H6F6O4/c1-3(17-5(15)7(11,12)13)2-16-4(14)6(8,9)10/h3H,2H2,1H3
- InChI Key
- SRUSTRDCGNYRRA-UHFFFAOYSA-N
- Formula
- C7H6F6O4
- SMILES
-
CC(COC(=O)C(F)(F)F)OC(=O)C(F)(
F)F - Molecular Weight1
- 268.11
- CAS
- 7556-83-4
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1977.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 134.990 | ml/mol | McGowan Calculated Property |
| Inp | [815.00; 815.00] |
|
|
| Inp | 815.00 | NIST | |
| Inp | 815.00 | NIST | |
| Tboil | 393.80 | 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, 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 | [232.61; 442.58] | 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 | 3.32610e+01 | |||
| Coefficient B | 8.87520e-01 | |||
| Coefficient C | -6.13000e-04 | |||
| Coefficient D | 1.34800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 276.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 314.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 346.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 373.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 394.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 412.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 425.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 442.58 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, bis(trifluoroacetate).
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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