- InChI
- InChI=1S/C14H16F8O4/c1-2-3-4-7-25-9(23)5-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h3-4,11H,2,5-8H2,1H3/b4-3-
- InChI Key
- IJWOIITUFNZKGH-ARJAWSKDSA-N
- Formula
- C14H16F8O4
- SMILES
-
CCC=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 | 0.7377 | Relay (... Calculated Property | |
| ΔfG° | -1873.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2436.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -5.28 | Relay (... Calculated Property | |
| logPoct/wat | 3.990 | Crippen Calculated Property | |
| McVol | 232.860 | ml/mol | McGowan Calculated Property |
| Pc | 1358.63 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Tboil | 532.44 | K | Relay (... Calculated Property |
| Tc | 673.83 | K | Relay (... Calculated Property |
| Tfus | 266.93 | K | Relay (... Calculated Property |
| Vc | 0.853 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.38; 737.94] | J/mol×K | [660.49; 821.51] |
|
| Cp,gas | 672.38 | J/mol×K | 660.49 | Joback Calculated Property |
| Cp,gas | 685.05 | J/mol×K | 687.33 | Joback Calculated Property |
| Cp,gas | 696.98 | J/mol×K | 714.16 | Joback Calculated Property |
| Cp,gas | 708.19 | J/mol×K | 741.00 | Joback Calculated Property |
| Cp,gas | 718.73 | J/mol×K | 767.84 | Joback Calculated Property |
| Cp,gas | 728.63 | J/mol×K | 794.68 | Joback Calculated Property |
| Cp,gas | 737.94 | J/mol×K | 821.51 | Joback Calculated Property |
Similar Compounds
Sources
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