- InChI
- InChI=1S/C12H10F12O4/c13-7(14)9(17,18)3-27-5(25)1-2-6(26)28-4-10(19,20)12(23,24)11(21,22)8(15)16/h7-8H,1-4H2
- InChI Key
- AQYQPZBRVKSKLO-UHFFFAOYSA-N
- Formula
- C12H10F12O4
- SMILES
-
O=C(CCC(=O)OCC(F)(F)C(F)(F)C(F
)(F)C(F)F)OCC(F)(F)C(F)F - Molecular Weight1
- 446.19
- 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 | 0.7833 | Relay (... Calculated Property | |
| ΔfG° | -2748.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3204.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.76 | kJ/mol | Relay (... Calculated Property |
| IE | 10.78 | eV | Relay (... Calculated Property |
| log10WS | -5.79 | Relay (... Calculated Property | |
| logPoct/wat | 3.924 | Crippen Calculated Property | |
| McVol | 216.060 | ml/mol | McGowan Calculated Property |
| Pc | 1345.70 | kPa | Joback Calculated Property |
| Inp | [1322.00; 1322.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Tboil | 511.44 | K | Relay (... Calculated Property |
| Tc | 662.95 | K | Relay (... Calculated Property |
| Tfus | 337.42 | K | Relay (... Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.95; 685.02] | J/mol×K | [603.98; 749.46] |
|
| Cp,gas | 625.95 | J/mol×K | 603.98 | Joback Calculated Property |
| Cp,gas | 637.42 | J/mol×K | 628.23 | Joback Calculated Property |
| Cp,gas | 648.19 | J/mol×K | 652.47 | Joback Calculated Property |
| Cp,gas | 658.31 | J/mol×K | 676.72 | Joback Calculated Property |
| Cp,gas | 667.80 | J/mol×K | 700.97 | Joback Calculated Property |
| Cp,gas | 676.69 | J/mol×K | 725.21 | Joback Calculated Property |
| Cp,gas | 685.02 | J/mol×K | 749.46 | Joback Calculated Property |
Similar Compounds
Sources
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