- InChI
- InChI=1S/C12H11F13O2/c1-2-3-4-5-27-6(26)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2-5H2,1H3
- InChI Key
- QFCYZBVUAQZNQJ-UHFFFAOYSA-N
- Formula
- C12H11F13O2
- SMILES
-
CCCCCOC(=O)C(F)(F)C(F)(F)C(F)(
F)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 434.19
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid pentyl ester
- 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° | -2699.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3137.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.94 | Crippen Calculated Property | |
| logPoct/wat | 5.459 | Crippen Calculated Property | |
| McVol | 210.390 | ml/mol | McGowan Calculated Property |
| Pc | 1280.08 | kPa | Joback Calculated Property |
| Inp | [991.00; 991.40] |
|
|
| Inp | 991.00 | NIST | |
| Inp | 991.40 | NIST | |
| Inp | 991.00 | NIST | |
| Tboil | 521.38 | K | Joback Calculated Property |
| Tc | 657.28 | K | Joback Calculated Property |
| Tfus | 319.35 | K | Joback Calculated Property |
| Vc | 0.899 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.69; 655.27] | J/mol×K | [521.38; 657.28] |
|
| Cp,gas | 586.69 | J/mol×K | 521.38 | Joback Calculated Property |
| Cp,gas | 600.06 | J/mol×K | 544.03 | Joback Calculated Property |
| Cp,gas | 612.60 | J/mol×K | 566.68 | Joback Calculated Property |
| Cp,gas | 624.36 | J/mol×K | 589.33 | Joback Calculated Property |
| Cp,gas | 635.36 | J/mol×K | 611.98 | Joback Calculated Property |
| Cp,gas | 645.65 | J/mol×K | 634.63 | Joback Calculated Property |
| Cp,gas | 655.27 | J/mol×K | 657.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentyl perfluoroheptanoate.
Sources
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