- InChI
- InChI=1S/C20H27Cl3O4/c1-4-5-6-7-8-9-10-11-26-18(24)20(2,3)19(25)27-17-15(22)12-14(21)13-16(17)23/h12-13H,4-11H2,1-3H3
- InChI Key
- VDHDHRGOAHTHCN-UHFFFAOYSA-N
- Formula
- C20H27Cl3O4
- SMILES
-
CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1
c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 437.79
- 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 | -886.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.60 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.872 | Crippen Calculated Property | |
| McVol | 320.500 | ml/mol | McGowan Calculated Property |
| Inp | 2658.00 | NIST | |
| Tboil | 616.60 | K | Relay (1.0) Calculated Property |
| Tfus | 308.37 | 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 | [941.11; 998.87] | J/mol×K | [924.32; 1140.79] | 
|
| Cp,gas | 941.11 | J/mol×K | 924.32 | Joback Calculated Property |
| Cp,gas | 953.65 | J/mol×K | 960.40 | Joback Calculated Property |
| Cp,gas | 964.96 | J/mol×K | 996.48 | Joback Calculated Property |
| Cp,gas | 975.09 | J/mol×K | 1032.56 | Joback Calculated Property |
| Cp,gas | 984.09 | J/mol×K | 1068.63 | Joback Calculated Property |
| Cp,gas | 992.00 | J/mol×K | 1104.71 | Joback Calculated Property |
| Cp,gas | 998.87 | J/mol×K | 1140.79 | Joback Calculated Property |
| η | [0.0000206; 0.0002735] | Pa×s | [555.98; 924.32] |
|
| η | 0.0002735 | Pa×s | 555.98 | Joback Calculated Property |
| η | 0.0001435 | Pa×s | 617.37 | Joback Calculated Property |
| η | 0.0000846 | Pa×s | 678.76 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 740.15 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 801.54 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 862.93 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 924.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, nonyl 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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