- InChI
- InChI=1S/C15H16ClF3O3/c1-3-14(4-2,12(16)20)13(21)22-9-10-5-7-11(8-6-10)15(17,18)19/h5-8H,3-4,9H2,1-2H3
- InChI Key
- MKMLKQSWQCRBMT-UHFFFAOYSA-N
- Formula
- C15H16ClF3O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1ccc(C
(F)(F)F)cc1 - Molecular Weight1
- 336.73
- 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° | -775.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1106.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.320 | Crippen Calculated Property | |
| McVol | 225.010 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Inp | 1748.00 | NIST | |
| Tboil | 733.20 | K | Joback Calculated Property |
| Tc | 937.43 | K | Joback Calculated Property |
| Tfus | 456.37 | K | Joback Calculated Property |
| Vc | 0.878 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.59; 686.08] | J/mol×K | [733.20; 937.43] | 
|
| Cp,gas | 621.59 | J/mol×K | 733.20 | Joback Calculated Property |
| Cp,gas | 634.52 | J/mol×K | 767.24 | Joback Calculated Property |
| Cp,gas | 646.49 | J/mol×K | 801.28 | Joback Calculated Property |
| Cp,gas | 657.57 | J/mol×K | 835.32 | Joback Calculated Property |
| Cp,gas | 667.82 | J/mol×K | 869.36 | Joback Calculated Property |
| Cp,gas | 677.30 | J/mol×K | 903.39 | Joback Calculated Property |
| Cp,gas | 686.08 | J/mol×K | 937.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 4-trifluoromethylbenzyl ester.
Sources
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