- InChI
- InChI=1S/C13H11F15O2/c1-3-4-5(2)30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5H,3-4H2,1-2H3
- InChI Key
- OKDHCKXQNFQLIZ-UHFFFAOYSA-N
- Formula
- C13H11F15O2
- SMILES
-
CCCC(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
- 484.20
- 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° | -3080.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3564.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.78 | Crippen Calculated Property | |
| logPoct/wat | 6.092 | Crippen Calculated Property | |
| McVol | 228.020 | ml/mol | McGowan Calculated Property |
| Pc | 1145.99 | kPa | Joback Calculated Property |
| Inp | [984.00; 984.00] |
|
|
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Tboil | 539.13 | K | Joback Calculated Property |
| Tc | 674.41 | K | Joback Calculated Property |
| Tfus | 319.22 | K | Joback Calculated Property |
| Vc | 0.975 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.91; 725.79] | J/mol×K | [539.13; 674.41] |
|
| Cp,gas | 655.91 | J/mol×K | 539.13 | Joback Calculated Property |
| Cp,gas | 669.65 | J/mol×K | 561.68 | Joback Calculated Property |
| Cp,gas | 682.49 | J/mol×K | 584.22 | Joback Calculated Property |
| Cp,gas | 694.47 | J/mol×K | 606.77 | Joback Calculated Property |
| Cp,gas | 705.66 | J/mol×K | 629.32 | Joback Calculated Property |
| Cp,gas | 716.08 | J/mol×K | 651.86 | Joback Calculated Property |
| Cp,gas | 725.79 | J/mol×K | 674.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, pent-2-yl ester.
Sources
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