- InChI
- InChI=1S/C17H22F8O4/c1-10(11-5-2-3-6-11)29-13(27)8-4-7-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h10-11,14H,2-9H2,1H3
- InChI Key
- CSMXMGUVRRLWLA-UHFFFAOYSA-N
- Formula
- C17H22F8O4
- SMILES
-
CC(OC(=O)CCCC(=O)OCC(F)(F)C(F)
(F)C(F)(F)C(F)F)C1CCCC1 - Molecular Weight1
- 442.34
- 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° | -1893.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2429.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.993 | Crippen Calculated Property | |
| McVol | 268.570 | ml/mol | McGowan Calculated Property |
| Pc | 1218.29 | kPa | Joback Calculated Property |
| Inp | [1798.00; 1798.00] |
|
|
| Inp | 1798.00 | NIST | |
| Inp | 1798.00 | NIST | |
| Tboil | 739.81 | K | Joback Calculated Property |
| Tc | 914.66 | K | Joback Calculated Property |
| Tfus | 418.55 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.96; 928.92] | J/mol×K | [739.81; 914.66] |
|
| Cp,gas | 850.96 | J/mol×K | 739.81 | Joback Calculated Property |
| Cp,gas | 866.26 | J/mol×K | 768.95 | Joback Calculated Property |
| Cp,gas | 880.57 | J/mol×K | 798.09 | Joback Calculated Property |
| Cp,gas | 893.93 | J/mol×K | 827.24 | Joback Calculated Property |
| Cp,gas | 906.41 | J/mol×K | 856.38 | Joback Calculated Property |
| Cp,gas | 918.05 | J/mol×K | 885.52 | Joback Calculated Property |
| Cp,gas | 928.92 | J/mol×K | 914.66 | Joback Calculated Property |
Similar Compounds
Sources
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