- InChI
- InChI=1S/C21H27F5O4/c1-3-4-5-6-7-8-9-13(2)30-16(28)11-10-15(27)29-12-14-17(22)19(24)21(26)20(25)18(14)23/h13H,3-12H2,1-2H3
- InChI Key
- WKLODDWSZMCTOK-UHFFFAOYSA-N
- Formula
- C21H27F5O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCc1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 438.43
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -1659.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.57 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.888 | Crippen Calculated Property | |
| McVol | 306.720 | ml/mol | McGowan Calculated Property |
| Inp | [2322.00; 2322.00] |
|
|
| Inp | 2322.00 | NIST | |
| Inp | 2322.00 | NIST | |
| Tboil | 617.61 | K | Relay (1.0) Calculated Property |
| Tc | 794.89 | K | Relay (1.0) Calculated Property |
| Tfus | 307.58 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [958.28; 1031.07] | J/mol×K | [844.01; 1033.47] |
|
| Cp,gas | 958.28 | J/mol×K | 844.01 | Joback Calculated Property |
| Cp,gas | 973.22 | J/mol×K | 875.59 | Joback Calculated Property |
| Cp,gas | 987.03 | J/mol×K | 907.16 | Joback Calculated Property |
| Cp,gas | 999.71 | J/mol×K | 938.74 | Joback Calculated Property |
| Cp,gas | 1011.27 | J/mol×K | 970.32 | Joback Calculated Property |
| Cp,gas | 1021.72 | J/mol×K | 1001.89 | Joback Calculated Property |
| Cp,gas | 1031.07 | J/mol×K | 1033.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl pentafluorobenzyl 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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