- InChI
- InChI=1S/C13H6F10O4/c1-5-6(26-8(24)10(14,15)12(18,19)20)3-2-4-7(5)27-9(25)11(16,17)13(21,22)23/h2-4H,1H3
- InChI Key
- NPZQBNXXIOBJDN-UHFFFAOYSA-N
- Formula
- C13H6F10O4
- SMILES
-
Cc1c(OC(=O)C(F)(F)C(F)(F)F)ccc
c1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 416.17
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -2734.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.24 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.201 | Crippen Calculated Property | |
| McVol | 202.850 | ml/mol | McGowan Calculated Property |
| Inp | [1098.00; 1098.00] |
|
|
| Inp | 1098.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Tboil | 487.93 | 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, 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 | [571.66; 624.51] | J/mol×K | [629.90; 798.40] |
|
| Cp,gas | 571.66 | J/mol×K | 629.90 | Joback Calculated Property |
| Cp,gas | 582.50 | J/mol×K | 657.98 | Joback Calculated Property |
| Cp,gas | 592.46 | J/mol×K | 686.07 | Joback Calculated Property |
| Cp,gas | 601.60 | J/mol×K | 714.15 | Joback Calculated Property |
| Cp,gas | 609.96 | J/mol×K | 742.23 | Joback Calculated Property |
| Cp,gas | 617.58 | J/mol×K | 770.32 | Joback Calculated Property |
| Cp,gas | 624.51 | J/mol×K | 798.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylresorcinol, bis(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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