- InChI
- InChI=1S/C12H9Cl4FO4/c13-7-2-1-3-8(17)11(7)21-10(19)5-4-9(18)20-6-12(14,15)16/h1-3H,4-6H2
- InChI Key
- AXTRJRLXJSAMRG-UHFFFAOYSA-N
- Formula
- C12H9Cl4FO4
- SMILES
-
O=C(CCC(=O)Oc1c(F)cccc1Cl)OCC(
Cl)(Cl)Cl - Molecular Weight1
- 378.01
- 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 | 0.7134 | Relay (... Calculated Property | |
| ΔfG° | -564.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.73 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -5.46 | Relay (... Calculated Property | |
| logPoct/wat | 4.078 | Crippen Calculated Property | |
| McVol | 221.790 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | 2209.00 | NIST | |
| Tboil | 588.84 | K | Relay (... Calculated Property |
| Tc | 843.52 | K | Relay (... Calculated Property |
| Tfus | 370.19 | K | Relay (... Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.72; 574.95] | J/mol×K | [808.94; 1035.61] | 
|
| Cp,gas | 534.72 | J/mol×K | 808.94 | Joback Calculated Property |
| Cp,gas | 543.46 | J/mol×K | 846.72 | Joback Calculated Property |
| Cp,gas | 551.35 | J/mol×K | 884.50 | Joback Calculated Property |
| Cp,gas | 558.41 | J/mol×K | 922.28 | Joback Calculated Property |
| Cp,gas | 564.68 | J/mol×K | 960.05 | Joback Calculated Property |
| Cp,gas | 570.18 | J/mol×K | 997.83 | Joback Calculated Property |
| Cp,gas | 574.95 | J/mol×K | 1035.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2,2,2-trichloroethyl ester.
Sources
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