- InChI
- InChI=1S/C11H7F15O2/c1-3(2)28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h3H,1-2H3
- InChI Key
- JTOFYIFKZCPBPA-UHFFFAOYSA-N
- Formula
- C11H7F15O2
- SMILES
-
CC(C)OC(=O)C(F)(F)C(F)(F)C(F)(
F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) F - Molecular Weight1
- 456.15
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -3096.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3523.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 5.312 | Crippen Calculated Property | |
| McVol | 199.840 | ml/mol | McGowan Calculated Property |
| Pc | 1310.85 | kPa | Joback Calculated Property |
| Inp | [876.00; 876.00] |
|
|
| Inp | 876.00 | NIST | |
| Inp | 876.00 | NIST | |
| Tboil | 493.37 | K | Joback Calculated Property |
| Tc | 626.10 | K | Joback Calculated Property |
| Tfus | 296.68 | K | Joback Calculated Property |
| Vc | 0.863 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.79; 623.78] | J/mol×K | [493.37; 626.10] |
|
| Cp,gas | 556.79 | J/mol×K | 493.37 | Joback Calculated Property |
| Cp,gas | 570.02 | J/mol×K | 515.49 | Joback Calculated Property |
| Cp,gas | 582.37 | J/mol×K | 537.61 | Joback Calculated Property |
| Cp,gas | 593.88 | J/mol×K | 559.73 | Joback Calculated Property |
| Cp,gas | 604.59 | J/mol×K | 581.86 | Joback Calculated Property |
| Cp,gas | 614.54 | J/mol×K | 603.98 | Joback Calculated Property |
| Cp,gas | 623.78 | J/mol×K | 626.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, isopropyl ester.
Sources
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