- InChI
- InChI=1S/C11H17F5O2/c1-2-3-4-5-6-7-8-18-9(17)10(12,13)11(14,15)16/h2-8H2,1H3
- InChI Key
- ZPVRQKZQZAFDCY-UHFFFAOYSA-N
- Formula
- C11H17F5O2
- SMILES
- CCCCCCCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 276.24
- CAS
- 1867-95-4
- 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.
- I : 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° | -1160.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1513.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.27 | Crippen Calculated Property | |
| logPoct/wat | 4.088 | Crippen Calculated Property | |
| McVol | 182.140 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [1062.00; 1078.00] |
|
|
| Inp | 1062.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1076.60 | NIST | |
| I | [1114.00; 1120.00] |
|
|
| I | 1120.00 | NIST | |
| I | 1114.00 | NIST | |
| Tboil | 517.26 | K | Joback Calculated Property |
| Tc | 670.29 | K | Joback Calculated Property |
| Tfus | 293.68 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.85; 534.79] | J/mol×K | [517.26; 670.29] |
|
| Cp,gas | 461.85 | J/mol×K | 517.26 | Joback Calculated Property |
| Cp,gas | 475.56 | J/mol×K | 542.77 | Joback Calculated Property |
| Cp,gas | 488.62 | J/mol×K | 568.27 | Joback Calculated Property |
| Cp,gas | 501.04 | J/mol×K | 593.78 | Joback Calculated Property |
| Cp,gas | 512.87 | J/mol×K | 619.28 | Joback Calculated Property |
| Cp,gas | 524.11 | J/mol×K | 644.79 | Joback Calculated Property |
| Cp,gas | 534.79 | J/mol×K | 670.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, octyl ester.
Sources
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