- InChI
- InChI=1S/C13H11F15O2/c1-2-3-4-5-30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h2-5H2,1H3
- InChI Key
- GVXBDIIUSCUEGI-UHFFFAOYSA-N
- Formula
- C13H11F15O2
- SMILES
-
CCCCCOC(=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° | -3077.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3559.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 6.094 | Crippen Calculated Property | |
| McVol | 228.020 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | [1015.00; 1015.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Tboil | 539.57 | K | Joback Calculated Property |
| Tc | 673.38 | K | Joback Calculated Property |
| Tfus | 334.22 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.68; 724.66] | J/mol×K | [539.57; 673.38] |
|
| Cp,gas | 655.68 | J/mol×K | 539.57 | Joback Calculated Property |
| Cp,gas | 669.22 | J/mol×K | 561.87 | Joback Calculated Property |
| Cp,gas | 681.87 | J/mol×K | 584.17 | Joback Calculated Property |
| Cp,gas | 693.70 | J/mol×K | 606.48 | Joback Calculated Property |
| Cp,gas | 704.75 | J/mol×K | 628.78 | Joback Calculated Property |
| Cp,gas | 715.05 | J/mol×K | 651.08 | Joback Calculated Property |
| Cp,gas | 724.66 | J/mol×K | 673.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, pentyl ester.
Sources
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