- InChI
- InChI=1S/C16H22F8O5/c1-9(6-7-27-3)10(2)29-12(26)5-4-11(25)28-8-14(19,20)16(23,24)15(21,22)13(17)18/h9-10,13H,4-8H2,1-3H3
- InChI Key
- MKJSGFPGCBJTEI-UHFFFAOYSA-N
- Formula
- C16H22F8O5
- SMILES
-
COCCC(C)C(C)OC(=O)CCC(=O)OCC(F
)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 446.33
- 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 | 0.8446 | Relay (... Calculated Property | |
| ΔfG° | -2046.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2683.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.90 | kJ/mol | Relay (... Calculated Property |
| IE | 9.74 | eV | Relay (... Calculated Property |
| log10WS | -4.65 | Relay (... Calculated Property | |
| logPoct/wat | 4.085 | Crippen Calculated Property | |
| McVol | 271.210 | ml/mol | McGowan Calculated Property |
| Pc | 1142.89 | kPa | Joback Calculated Property |
| Inp | [1744.00; 1744.00] |
|
|
| Inp | 1744.00 | NIST | |
| Inp | 1744.00 | NIST | |
| Tboil | 564.73 | K | Relay (... Calculated Property |
| Tc | 699.01 | K | Relay (... Calculated Property |
| Tfus | 279.62 | K | Relay (... Calculated Property |
| Vc | 1.007 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.96; 906.43] | J/mol×K | [723.63; 890.01] |
|
| Cp,gas | 832.96 | J/mol×K | 723.63 | Joback Calculated Property |
| Cp,gas | 847.23 | J/mol×K | 751.36 | Joback Calculated Property |
| Cp,gas | 860.65 | J/mol×K | 779.09 | Joback Calculated Property |
| Cp,gas | 873.25 | J/mol×K | 806.82 | Joback Calculated Property |
| Cp,gas | 885.06 | J/mol×K | 834.55 | Joback Calculated Property |
| Cp,gas | 896.11 | J/mol×K | 862.28 | Joback Calculated Property |
| Cp,gas | 906.43 | J/mol×K | 890.01 | Joback Calculated Property |
Similar Compounds
Sources
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