- InChI
- InChI=1S/C11H9Cl3F8O4/c12-9(13,14)4-26-6(24)2-1-5(23)25-3-8(17,18)11(21,22)10(19,20)7(15)16/h7H,1-4H2
- InChI Key
- IJDSUOAQGAWQMZ-UHFFFAOYSA-N
- Formula
- C11H9Cl3F8O4
- SMILES
-
O=C(CCC(=O)OCC(F)(F)C(F)(F)C(F
)(F)C(F)F)OCC(Cl)(Cl)Cl - Molecular Weight1
- 463.53
- 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 | 0.7402 | Relay (... Calculated Property | |
| ΔfG° | -2011.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2466.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.83 | kJ/mol | Relay (... Calculated Property |
| IE | 10.86 | eV | Relay (... Calculated Property |
| log10WS | -6.28 | Relay (... Calculated Property | |
| logPoct/wat | 4.394 | Crippen Calculated Property | |
| McVol | 231.610 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1662.00] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Tboil | 550.84 | K | Relay (... Calculated Property |
| Tc | 714.28 | K | Relay (... Calculated Property |
| Tfus | 345.67 | K | Relay (... Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.92; 667.74] | J/mol×K | [696.75; 872.13] |
|
| Cp,gas | 621.92 | J/mol×K | 696.75 | Joback Calculated Property |
| Cp,gas | 631.23 | J/mol×K | 725.98 | Joback Calculated Property |
| Cp,gas | 639.80 | J/mol×K | 755.21 | Joback Calculated Property |
| Cp,gas | 647.69 | J/mol×K | 784.44 | Joback Calculated Property |
| Cp,gas | 654.94 | J/mol×K | 813.67 | Joback Calculated Property |
| Cp,gas | 661.61 | J/mol×K | 842.90 | Joback Calculated Property |
| Cp,gas | 667.74 | J/mol×K | 872.13 | Joback Calculated Property |
Similar Compounds
Sources
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