- InChI
- InChI=1S/C16H20F8O4/c1-9-2-4-10(5-3-9)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
- TYJAEFVTVKIEHJ-UHFFFAOYSA-N
- Formula
- C16H20F8O4
- SMILES
-
CC1CCC(OC(=O)CCC(=O)OCC(F)(F)C
(F)(F)C(F)(F)C(F)F)CC1 - Molecular Weight1
- 428.31
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7672 | Relay (... Calculated Property | |
| ΔfG° | -1919.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2518.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.96 | kJ/mol | Relay (... Calculated Property |
| IE | 10.04 | eV | Relay (... Calculated Property |
| log10WS | -5.65 | Relay (... Calculated Property | |
| logPoct/wat | 4.603 | Crippen Calculated Property | |
| McVol | 254.480 | ml/mol | McGowan Calculated Property |
| Pc | 1289.29 | kPa | Joback Calculated Property |
| Inp | [1763.00; 1763.00] |
|
|
| Inp | 1763.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Tboil | 580.63 | K | Relay (... Calculated Property |
| Tc | 733.09 | K | Relay (... Calculated Property |
| Tfus | 302.72 | K | Relay (... Calculated Property |
| Vc | 0.964 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.74; 879.08] | J/mol×K | [716.97; 891.56] |
|
| Cp,gas | 799.74 | J/mol×K | 716.97 | Joback Calculated Property |
| Cp,gas | 815.39 | J/mol×K | 746.07 | Joback Calculated Property |
| Cp,gas | 830.01 | J/mol×K | 775.17 | Joback Calculated Property |
| Cp,gas | 843.65 | J/mol×K | 804.27 | Joback Calculated Property |
| Cp,gas | 856.34 | J/mol×K | 833.36 | Joback Calculated Property |
| Cp,gas | 868.14 | J/mol×K | 862.46 | Joback Calculated Property |
| Cp,gas | 879.08 | J/mol×K | 891.56 | Joback Calculated Property |
Similar Compounds
Sources
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