- InChI
- InChI=1S/C21H14F10O6/c22-10-12(24)16(28)20(17(29)13(10)25)36-6-4-34-8(32)2-1-3-9(33)35-5-7-37-21-18(30)14(26)11(23)15(27)19(21)31/h1-7H2
- InChI Key
- XESNITKCYHAJGC-UHFFFAOYSA-N
- Formula
- C21H14F10O6
- SMILES
-
O=C(CCCC(=O)OCCOc1c(F)c(F)c(F)
c(F)c1F)OCCOc1c(F)c(F)c(F)c(F) c1F - Molecular Weight1
- 552.32
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -2395.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.61 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| McVol | 303.550 | ml/mol | McGowan Calculated Property |
| Inp | 2617.00 | NIST | |
| Tfus | 372.76 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.43; 959.21] | 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 | 2.21707e+02 | |||
| Coefficient B | 1.12800e+00 | |||
| Coefficient C | -2.63400e-04 | |||
| Coefficient D | -1.27100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 507.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 582.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 651.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 715.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 773.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 825.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 869.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 907.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 937.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 959.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(pentafluorophenoxy)ethyl) 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
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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