- InChI
- InChI=1S/C22H29F5O4/c1-3-4-5-6-7-8-10-14(2)31-17(29)12-9-11-16(28)30-13-15-18(23)20(25)22(27)21(26)19(15)24/h14H,3-13H2,1-2H3
- InChI Key
- NCCNELBWIROFIQ-UHFFFAOYSA-N
- Formula
- C22H29F5O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 452.46
- 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 | -1682.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.50 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.278 | Crippen Calculated Property | |
| McVol | 320.810 | ml/mol | McGowan Calculated Property |
| Inp | [2382.00; 2382.00] |
|
|
| Inp | 2382.00 | NIST | |
| Inp | 2382.00 | NIST | |
| Tboil | 632.64 | K | Relay (1.0) Calculated Property |
| Tc | 803.67 | K | Relay (1.0) Calculated Property |
| Tfus | 306.06 | 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 | [1017.54; 1091.29] | J/mol×K | [866.89; 1061.39] |
|
| Cp,gas | 1017.54 | J/mol×K | 866.89 | Joback Calculated Property |
| Cp,gas | 1032.88 | J/mol×K | 899.31 | Joback Calculated Property |
| Cp,gas | 1046.99 | J/mol×K | 931.72 | Joback Calculated Property |
| Cp,gas | 1059.87 | J/mol×K | 964.14 | Joback Calculated Property |
| Cp,gas | 1071.54 | J/mol×K | 996.56 | Joback Calculated Property |
| Cp,gas | 1082.01 | J/mol×K | 1028.97 | Joback Calculated Property |
| Cp,gas | 1091.29 | J/mol×K | 1061.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric 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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