- InChI
- InChI=1S/C12H13ClF8O3/c1-3-9(4-2,6(13)22)8(23)24-5-10(16,17)12(20,21)11(18,19)7(14)15/h7H,3-5H2,1-2H3
- InChI Key
- VVRPSGPCPLAYQW-UHFFFAOYSA-N
- Formula
- C12H13ClF8O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCC(F)(F)
C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 392.67
- 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 | 0.6370 | Relay (... Calculated Property | |
| ΔfG° | -1874.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2284.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.79 | kJ/mol | Relay (... Calculated Property |
| IE | 10.13 | eV | Relay (... Calculated Property |
| log10WS | -5.37 | Relay (... Calculated Property | |
| logPoct/wat | 4.272 | Crippen Calculated Property | |
| McVol | 215.350 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | 1249.00 | NIST | |
| Tboil | 500.80 | K | Relay (... Calculated Property |
| Tc | 667.19 | K | Relay (... Calculated Property |
| Tfus | 312.92 | K | Relay (... Calculated Property |
| Vc | 0.793 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.81; 656.65] | J/mol×K | [622.35; 787.32] | 
|
| Cp,gas | 595.81 | J/mol×K | 622.35 | Joback Calculated Property |
| Cp,gas | 607.84 | J/mol×K | 649.85 | Joback Calculated Property |
| Cp,gas | 619.04 | J/mol×K | 677.34 | Joback Calculated Property |
| Cp,gas | 629.48 | J/mol×K | 704.84 | Joback Calculated Property |
| Cp,gas | 639.19 | J/mol×K | 732.33 | Joback Calculated Property |
| Cp,gas | 648.23 | J/mol×K | 759.83 | Joback Calculated Property |
| Cp,gas | 656.65 | J/mol×K | 787.32 | Joback Calculated Property |
Similar Compounds
Sources
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