- InChI
- InChI=1S/C13H12ClF3O3/c1-3-13(4-2,11(14)18)12(19)20-8-6-5-7(15)9(16)10(8)17/h5-6H,3-4H2,1-2H3
- InChI Key
- LIZWWFUSPVUKPS-UHFFFAOYSA-N
- Formula
- C13H12ClF3O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(F)
c(F)c1F - Molecular Weight1
- 308.68
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -814.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1079.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 196.830 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | 1579.00 | NIST | |
| Tboil | 700.63 | K | Joback Calculated Property |
| Tc | 901.75 | K | Joback Calculated Property |
| Tfus | 456.45 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.05; 570.18] | J/mol×K | [700.63; 901.75] | 
|
| Cp,gas | 512.05 | J/mol×K | 700.63 | Joback Calculated Property |
| Cp,gas | 523.58 | J/mol×K | 734.15 | Joback Calculated Property |
| Cp,gas | 534.34 | J/mol×K | 767.67 | Joback Calculated Property |
| Cp,gas | 544.35 | J/mol×K | 801.19 | Joback Calculated Property |
| Cp,gas | 553.64 | J/mol×K | 834.71 | Joback Calculated Property |
| Cp,gas | 562.24 | J/mol×K | 868.23 | Joback Calculated Property |
| Cp,gas | 570.18 | J/mol×K | 901.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2,3,4-trifluorophenyl ester.
Sources
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