- InChI
- InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-2-5(4-6)7(19)20/h1-4H,(H,19,20)
- InChI Key
- QUDWSOPBFCWKGP-UHFFFAOYSA-N
- Formula
- C11H5F7O4
- SMILES
-
O=C(O)c1cccc(OC(=O)C(F)(F)C(F)
(F)C(F)(F)F)c1 - Molecular Weight1
- 334.14
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -2100.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.123 | Crippen Calculated Property | |
| McVol | 169.360 | ml/mol | McGowan Calculated Property |
| Inp | 1371.00 | NIST | |
| Tfus | 354.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [477.77; 519.98] | J/mol×K | [671.87; 863.20] | 
|
| Cp,gas | 477.77 | J/mol×K | 671.87 | Joback Calculated Property |
| Cp,gas | 486.70 | J/mol×K | 703.76 | Joback Calculated Property |
| Cp,gas | 494.78 | J/mol×K | 735.65 | Joback Calculated Property |
| Cp,gas | 502.08 | J/mol×K | 767.53 | Joback Calculated Property |
| Cp,gas | 508.67 | J/mol×K | 799.42 | Joback Calculated Property |
| Cp,gas | 514.61 | J/mol×K | 831.31 | Joback Calculated Property |
| Cp,gas | 519.98 | J/mol×K | 863.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(heptafluorobutyryloxy)-.
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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