- InChI
- InChI=1S/C19H21F15O2/c1-2-3-4-5-6-7-8-9-10-11-36-12(35)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h9-10H,2-8,11H2,1H3/b10-9+
- InChI Key
- KWQWVJBGFXFMEX-MDZDMXLPSA-N
- Formula
- C19H21F15O2
- SMILES
-
CCCCCCCC/C=C/COC(=O)C(F)(F)C(F
)(F)C(F)(F)C(F)(F)C(F)(F)C(F)( F)C(F)(F)F - Molecular Weight1
- 566.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 43.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.32 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.210 | Crippen Calculated Property | |
| McVol | 308.260 | ml/mol | McGowan Calculated Property |
| Inp | 1543.00 | NIST | |
| Tboil | 542.41 | K | Relay (1.0) Calculated Property |
| Tc | 659.31 | K | Relay (1.0) Calculated Property |
| Tfus | 282.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.64; 1093.42] | 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 | -8.31020e+01 | |||
| Coefficient B | 2.83162e+00 | |||
| Coefficient C | -2.44760e-03 | |||
| Coefficient D | 7.92500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 523.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 647.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 750.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 834.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 902.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 957.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1001.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1037.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1067.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1093.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, undec-2-en-1-yl ester.
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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