- InChI
- InChI=1S/C11H9F5O2/c1-4(2)3-5(17)18-11-9(15)7(13)6(12)8(14)10(11)16/h4H,3H2,1-2H3
- InChI Key
- WWEZUPWFTNXRAY-UHFFFAOYSA-N
- Formula
- C11H9F5O2
- SMILES
-
CC(C)CC(=O)Oc1c(F)c(F)c(F)c(F)
c1F - Molecular Weight1
- 268.18
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1136.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.50 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 158.380 | ml/mol | McGowan Calculated Property |
| Inp | 1147.00 | NIST | |
| Tboil | 441.20 | K | Relay (1.0) Calculated Property |
| Tc | 668.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [382.26; 439.96] | J/mol×K | [556.99; 728.96] | 
|
| Cp,gas | 382.26 | J/mol×K | 556.99 | Joback Calculated Property |
| Cp,gas | 393.02 | J/mol×K | 585.65 | Joback Calculated Property |
| Cp,gas | 403.32 | J/mol×K | 614.31 | Joback Calculated Property |
| Cp,gas | 413.17 | J/mol×K | 642.97 | Joback Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 671.64 | Joback Calculated Property |
| Cp,gas | 431.49 | J/mol×K | 700.30 | Joback Calculated Property |
| Cp,gas | 439.96 | J/mol×K | 728.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isovaleric acid, pentafluorophenyl 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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