- InChI
- InChI=1S/C13H13Cl3O4/c1-4-19-11(17)13(2,3)12(18)20-10-8(15)5-7(14)6-9(10)16/h5-6H,4H2,1-3H3
- InChI Key
- VMYHHAPFJCPJOM-UHFFFAOYSA-N
- Formula
- C13H13Cl3O4
- SMILES
-
CCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc
(Cl)cc1Cl - Molecular Weight1
- 339.60
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -746.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.26 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.142 | Crippen Calculated Property | |
| McVol | 221.870 | ml/mol | McGowan Calculated Property |
| Inp | 1998.00 | NIST | |
| Tboil | 561.08 | K | Relay (1.0) Calculated Property |
| Tfus | 318.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.88; 603.53] | J/mol×K | [764.16; 990.73] | 
|
| Cp,gas | 552.88 | J/mol×K | 764.16 | Joback Calculated Property |
| Cp,gas | 563.85 | J/mol×K | 801.92 | Joback Calculated Property |
| Cp,gas | 573.78 | J/mol×K | 839.68 | Joback Calculated Property |
| Cp,gas | 582.69 | J/mol×K | 877.45 | Joback Calculated Property |
| Cp,gas | 590.60 | J/mol×K | 915.21 | Joback Calculated Property |
| Cp,gas | 597.54 | J/mol×K | 952.97 | Joback Calculated Property |
| Cp,gas | 603.53 | J/mol×K | 990.73 | Joback Calculated Property |
| η | [0.0000616; 0.0006274] | Pa×s | [477.09; 764.16] |
|
| η | 0.0006274 | Pa×s | 477.09 | Joback Calculated Property |
| η | 0.0003572 | Pa×s | 524.94 | Joback Calculated Property |
| η | 0.0002235 | Pa×s | 572.78 | Joback Calculated Property |
| η | 0.0001503 | Pa×s | 620.62 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 668.47 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 716.32 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 764.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl 2,4,6-trichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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