- InChI
- InChI=1S/C7H3F11O2/c1-20-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H3
- InChI Key
- NJXMLQHJFDKLKL-UHFFFAOYSA-N
- Formula
- C7H3F11O2
- SMILES
-
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 328.08
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid methyl ester
- 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 | -2702.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.263 | Crippen Calculated Property | |
| McVol | 136.400 | ml/mol | McGowan Calculated Property |
| Inp | [595.70; 596.00] |
|
|
| Inp | 596.00 | NIST | |
| Inp | 595.70 | NIST | |
| Inp | 596.00 | NIST | |
| Tboil | 385.89 | 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 | [253.20; 473.69] | 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 | -3.34300e+01 | |||
| Coefficient B | 1.37282e+00 | |||
| Coefficient C | -1.30180e-03 | |||
| Coefficient D | 4.36100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 253.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 308.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 388.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 414.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 434.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 449.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 459.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 467.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 473.69 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl perfluorohexanoate.
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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