- InChI
- InChI=1S/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3
- InChI Key
- QJFHNYDPNSFJMR-UHFFFAOYSA-N
- Formula
- C11H3F19O2
- SMILES
-
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(
F)(F)C(F)(F)C(F)(F)C(F)(F)C(F) (F)C(F)(F)F - Molecular Weight1
- 528.11
- 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 | -4323.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.804 | Crippen Calculated Property | |
| McVol | 206.920 | ml/mol | McGowan Calculated Property |
| Inp | [638.00; 638.00] |
|
|
| Inp | 638.00 | NIST | |
| Inp | 638.00 | NIST | |
| Tboil | 456.86 | 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 | [397.81; 742.49] | 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 | -8.62300e+01 | |||
| Coefficient B | 2.35042e+00 | |||
| Coefficient C | -2.33780e-03 | |||
| Coefficient D | 8.16100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 397.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 488.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 560.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 615.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 657.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 686.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 707.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 722.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 732.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 742.49 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl perfluorodecanoate.
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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