- InChI
- InChI=1S/C15H7Cl3F8O4/c16-6-3-7(17)11(8(18)4-6)30-10(28)2-1-9(27)29-5-13(21,22)15(25,26)14(23,24)12(19)20/h1-4,12H,5H2/b2-1+
- InChI Key
- LKZFADVGKKDHAF-OWOJBTEDSA-N
- Formula
- C15H7Cl3F8O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1C
l)OCC(F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 509.56
- 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 | 0.8484 | Relay (... Calculated Property | |
| ΔfG° | -1816.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2239.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.72 | eV | Relay (... Calculated Property |
| log10WS | -7.65 | Relay (... Calculated Property | |
| logPoct/wat | 5.823 | Crippen Calculated Property | |
| McVol | 259.910 | ml/mol | McGowan Calculated Property |
| Pc | 1441.35 | kPa | Joback Calculated Property |
| Inp | 2117.00 | NIST | |
| Tboil | 585.20 | K | Relay (... Calculated Property |
| Tc | 811.78 | K | Relay (... Calculated Property |
| Tfus | 347.88 | K | Relay (... Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.03; 742.27] | J/mol×K | [837.28; 1037.21] | 
|
| Cp,gas | 703.03 | J/mol×K | 837.28 | Joback Calculated Property |
| Cp,gas | 711.04 | J/mol×K | 870.60 | Joback Calculated Property |
| Cp,gas | 718.37 | J/mol×K | 903.92 | Joback Calculated Property |
| Cp,gas | 725.09 | J/mol×K | 937.25 | Joback Calculated Property |
| Cp,gas | 731.26 | J/mol×K | 970.57 | Joback Calculated Property |
| Cp,gas | 736.96 | J/mol×K | 1003.89 | Joback Calculated Property |
| Cp,gas | 742.27 | J/mol×K | 1037.21 | Joback Calculated Property |
Similar Compounds
Sources
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