- InChI
- InChI=1S/C21H26F8O4/c22-17(23)20(26,27)21(28,29)19(24,25)11-33-16(31)2-1-15(30)32-4-3-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14,17H,1-11H2
- InChI Key
- KFTXBKLYZRXBCK-UHFFFAOYSA-N
- Formula
- C21H26F8O4
- SMILES
-
O=C(CCC(=O)OCC(F)(F)C(F)(F)C(F
)(F)C(F)F)OCCC12CC3CC(CC(C3)C1 )C2 - Molecular Weight1
- 494.42
- 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° | -1737.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2359.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen Calculated Property | |
| logPoct/wat | 5.630 | Crippen Calculated Property | |
| McVol | 303.210 | ml/mol | McGowan Calculated Property |
| Pc | 1103.74 | kPa | Joback Calculated Property |
| Inp | [2400.00; 2400.00] |
|
|
| Inp | 2400.00 | NIST | |
| Inp | 2400.00 | NIST | |
| Tboil | 836.55 | K | Joback Calculated Property |
| Tc | 1027.61 | K | Joback Calculated Property |
| Tfus | 537.69 | K | Joback Calculated Property |
| Vc | 1.224 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1047.32; 1148.97] | J/mol×K | [836.55; 1027.61] |
|
| Cp,gas | 1047.32 | J/mol×K | 836.55 | Joback Calculated Property |
| Cp,gas | 1064.85 | J/mol×K | 868.39 | Joback Calculated Property |
| Cp,gas | 1081.92 | J/mol×K | 900.24 | Joback Calculated Property |
| Cp,gas | 1098.68 | J/mol×K | 932.08 | Joback Calculated Property |
| Cp,gas | 1115.33 | J/mol×K | 963.93 | Joback Calculated Property |
| Cp,gas | 1132.03 | J/mol×K | 995.77 | Joback Calculated Property |
| Cp,gas | 1148.97 | J/mol×K | 1027.61 | Joback Calculated Property |
Similar Compounds
Sources
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