- InChI
- InChI=1S/C15H11F15O6/c1-2-9(3-34-6(31)10(16,17)13(22,23)24,4-35-7(32)11(18,19)14(25,26)27)5-36-8(33)12(20,21)15(28,29)30/h2-5H2,1H3
- InChI Key
- HBURXPQVCDTQEW-UHFFFAOYSA-N
- Formula
- C15H11F15O6
- SMILES
-
CCC(COC(=O)C(F)(F)C(F)(F)F)(CO
C(=O)C(F)(F)C(F)(F)F)COC(=O)C( F)(F)C(F)(F)F - Molecular Weight1
- 572.22
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -4230.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.605 | Crippen Calculated Property | |
| McVol | 271.080 | ml/mol | McGowan Calculated Property |
| Inp | [1117.00; 1117.00] |
|
|
| Inp | 1117.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Tboil | 502.61 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [844.82; 900.50] | J/mol×K | [683.90; 838.55] |
|
| Cp,gas | 844.82 | J/mol×K | 683.90 | Joback Calculated Property |
| Cp,gas | 856.28 | J/mol×K | 709.68 | Joback Calculated Property |
| Cp,gas | 866.78 | J/mol×K | 735.45 | Joback Calculated Property |
| Cp,gas | 876.40 | J/mol×K | 761.23 | Joback Calculated Property |
| Cp,gas | 885.18 | J/mol×K | 787.00 | Joback Calculated Property |
| Cp,gas | 893.20 | J/mol×K | 812.78 | Joback Calculated Property |
| Cp,gas | 900.50 | J/mol×K | 838.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1-Tris(hydroxymethyl)propane, tri(pentafluoropropionate).
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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