- InChI
- InChI=1S/C15H13F15O2/c16-9(17,8(31)32-6-7-4-2-1-3-5-7)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7H,1-6H2
- InChI Key
- QOGLORBQBFFERD-UHFFFAOYSA-N
- Formula
- C15H13F15O2
- SMILES
-
O=C(OCC1CCCCC1)C(F)(F)C(F)(F)C
(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F )(F)F - Molecular Weight1
- 510.24
- 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° | -3036.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3546.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.24 | kJ/mol | Joback Calculated Property |
| log10WS | -7.16 | Crippen Calculated Property | |
| logPoct/wat | 6.484 | Crippen Calculated Property | |
| McVol | 245.340 | ml/mol | McGowan Calculated Property |
| Pc | 1149.87 | kPa | Joback Calculated Property |
| Inp | 1243.00 | NIST | |
| Tboil | 604.88 | K | Joback Calculated Property |
| Tc | 756.99 | K | Joback Calculated Property |
| Tfus | 364.14 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.18; 829.79] | J/mol×K | [604.88; 756.99] | 
|
| Cp,gas | 752.18 | J/mol×K | 604.88 | Joback Calculated Property |
| Cp,gas | 767.67 | J/mol×K | 630.23 | Joback Calculated Property |
| Cp,gas | 782.05 | J/mol×K | 655.58 | Joback Calculated Property |
| Cp,gas | 795.39 | J/mol×K | 680.93 | Joback Calculated Property |
| Cp,gas | 807.74 | J/mol×K | 706.28 | Joback Calculated Property |
| Cp,gas | 819.18 | J/mol×K | 731.63 | Joback Calculated Property |
| Cp,gas | 829.79 | J/mol×K | 756.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, cyclohexylmethyl ester.
Sources
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