- InChI
- InChI=1S/C17H27F3O4/c1-3-4-5-6-7-8-9-10-13-23-15(21)11-12-16(22)24-14(2)17(18,19)20/h3,14H,1,4-13H2,2H3
- InChI Key
- MRRJMYLQYGYRBD-UHFFFAOYSA-N
- Formula
- C17H27F3O4
- SMILES
-
C=CCCCCCCCCOC(=O)CCC(=O)OC(C)C
(F)(F)F - Molecular Weight1
- 352.39
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1546.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.721 | Crippen Calculated Property | |
| McVol | 266.280 | ml/mol | McGowan Calculated Property |
| Inp | [1900.00; 1900.00] |
|
|
| Inp | 1900.00 | NIST | |
| Inp | 1900.00 | NIST | |
| Tboil | 571.17 | K | Relay (1.0) Calculated Property |
| Tfus | 280.27 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [411.80; 907.30] | 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 | 2.73800e+01 | |||
| Coefficient B | 1.65632e+00 | |||
| Coefficient C | -9.58900e-04 | |||
| Coefficient D | 1.82500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 411.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 501.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 581.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 651.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 712.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 765.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 811.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 849.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 881.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 907.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl dec-9-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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