- InChI
- InChI=1S/C15H9Cl3F8O4/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/h3-4,12H,1-2,5H2
- InChI Key
- FPFROZHDIULWQO-UHFFFAOYSA-N
- Formula
- C15H9Cl3F8O4
- SMILES
-
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
)OCC(F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 511.58
- 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 | 0.8760 | Relay (... Calculated Property | |
| ΔfG° | -1897.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2325.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.34 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | -7.33 | Relay (... Calculated Property | |
| logPoct/wat | 6.047 | Crippen Calculated Property | |
| McVol | 264.210 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | [2106.00; 2106.00] |
|
|
| Inp | 2106.00 | NIST | |
| Inp | 2106.00 | NIST | |
| Tboil | 588.96 | K | Relay (... Calculated Property |
| Tc | 810.42 | K | Relay (... Calculated Property |
| Tfus | 346.65 | K | Relay (... Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [730.25; 771.72] | J/mol×K | [833.12; 1029.25] |
|
| Cp,gas | 730.25 | J/mol×K | 833.12 | Joback Calculated Property |
| Cp,gas | 738.85 | J/mol×K | 865.81 | Joback Calculated Property |
| Cp,gas | 746.71 | J/mol×K | 898.50 | Joback Calculated Property |
| Cp,gas | 753.86 | J/mol×K | 931.18 | Joback Calculated Property |
| Cp,gas | 760.38 | J/mol×K | 963.87 | Joback Calculated Property |
| Cp,gas | 766.31 | J/mol×K | 996.56 | Joback Calculated Property |
| Cp,gas | 771.72 | J/mol×K | 1029.25 | Joback Calculated Property |
Similar Compounds
Sources
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