- InChI
- InChI=1S/C14H16F8O4/c1-8(2)5-6-25-9(23)3-4-10(24)26-7-12(17,18)14(21,22)13(19,20)11(15)16/h5,11H,3-4,6-7H2,1-2H3
- InChI Key
- FSANVZYARBVRGY-UHFFFAOYSA-N
- Formula
- C14H16F8O4
- SMILES
-
CC(C)=CCOC(=O)CCC(=O)OCC(F)(F)
C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 400.26
- 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 | 0.7371 | Relay (... Calculated Property | |
| ΔfG° | -1881.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2432.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -5.34 | Relay (... Calculated Property | |
| logPoct/wat | 3.990 | Crippen Calculated Property | |
| McVol | 232.860 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Inp | [1566.00; 1566.00] |
|
|
| Inp | 1566.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Tboil | 538.46 | K | Relay (... Calculated Property |
| Tc | 679.17 | K | Relay (... Calculated Property |
| Tfus | 290.92 | K | Relay (... Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.09; 738.06] | J/mol×K | [660.37; 822.79] |
|
| Cp,gas | 672.09 | J/mol×K | 660.37 | Joback Calculated Property |
| Cp,gas | 684.86 | J/mol×K | 687.44 | Joback Calculated Property |
| Cp,gas | 696.86 | J/mol×K | 714.51 | Joback Calculated Property |
| Cp,gas | 708.14 | J/mol×K | 741.58 | Joback Calculated Property |
| Cp,gas | 718.74 | J/mol×K | 768.65 | Joback Calculated Property |
| Cp,gas | 728.70 | J/mol×K | 795.72 | Joback Calculated Property |
| Cp,gas | 738.06 | J/mol×K | 822.79 | Joback Calculated Property |
Similar Compounds
Sources
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