- InChI
- InChI=1S/C16H20F8O4/c1-9(10-4-2-3-5-10)28-12(26)7-6-11(25)27-8-14(19,20)16(23,24)15(21,22)13(17)18/h9-10,13H,2-8H2,1H3
- InChI Key
- XKCIFUDFXRTBSO-UHFFFAOYSA-N
- Formula
- C16H20F8O4
- SMILES
-
CC(OC(=O)CCC(=O)OCC(F)(F)C(F)(
F)C(F)(F)C(F)F)C1CCCC1 - Molecular Weight1
- 428.31
- 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° | -1902.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2408.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.58 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.603 | Crippen Calculated Property | |
| McVol | 254.480 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [1769.00; 1769.00] |
|
|
| Inp | 1769.00 | NIST | |
| Inp | 1769.00 | NIST | |
| Tboil | 716.93 | K | Joback Calculated Property |
| Tc | 890.49 | K | Joback Calculated Property |
| Tfus | 407.28 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.59; 871.01] | J/mol×K | [716.93; 890.49] |
|
| Cp,gas | 794.59 | J/mol×K | 716.93 | Joback Calculated Property |
| Cp,gas | 809.59 | J/mol×K | 745.86 | Joback Calculated Property |
| Cp,gas | 823.63 | J/mol×K | 774.78 | Joback Calculated Property |
| Cp,gas | 836.73 | J/mol×K | 803.71 | Joback Calculated Property |
| Cp,gas | 848.96 | J/mol×K | 832.63 | Joback Calculated Property |
| Cp,gas | 860.37 | J/mol×K | 861.56 | Joback Calculated Property |
| Cp,gas | 871.01 | J/mol×K | 890.49 | Joback Calculated Property |
Similar Compounds
Sources
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