- InChI
- InChI=1S/C13H16F8O2/c14-10(15)12(18,19)13(20,21)11(16,17)7-23-9(22)6-5-8-3-1-2-4-8/h8,10H,1-7H2
- InChI Key
- KQTPXIPKMKKEMP-UHFFFAOYSA-N
- Formula
- C13H16F8O2
- SMILES
-
O=C(CCC1CCCC1)OCC(F)(F)C(F)(F)
C(F)(F)C(F)F - Molecular Weight1
- 356.25
- 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° | -1691.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2096.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.671 | Crippen Calculated Property | |
| McVol | 204.770 | ml/mol | McGowan Calculated Property |
| Pc | 1556.12 | kPa | Joback Calculated Property |
| Inp | 1395.00 | NIST | |
| Tboil | 572.44 | K | Joback Calculated Property |
| Tc | 734.50 | K | Joback Calculated Property |
| Tfus | 316.31 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.85; 659.82] | J/mol×K | [572.44; 734.50] | 
|
| Cp,gas | 577.85 | J/mol×K | 572.44 | Joback Calculated Property |
| Cp,gas | 593.73 | J/mol×K | 599.45 | Joback Calculated Property |
| Cp,gas | 608.67 | J/mol×K | 626.46 | Joback Calculated Property |
| Cp,gas | 622.70 | J/mol×K | 653.47 | Joback Calculated Property |
| Cp,gas | 635.87 | J/mol×K | 680.48 | Joback Calculated Property |
| Cp,gas | 648.23 | J/mol×K | 707.49 | Joback Calculated Property |
| Cp,gas | 659.82 | J/mol×K | 734.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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