- InChI
- InChI=1S/C17H21Cl3O4/c1-4-5-6-7-8-23-15(21)17(2,3)16(22)24-14-12(19)9-11(18)10-13(14)20/h9-10H,4-8H2,1-3H3
- InChI Key
- DYHDIIFPSIMVPV-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)Oc1c(C
l)cc(Cl)cc1Cl - Molecular Weight1
- 395.71
- 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 | -820.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.32 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.702 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Inp | 2359.00 | NIST | |
| Tboil | 594.11 | K | Relay (1.0) Calculated Property |
| Tfus | 303.30 | 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 | [769.70; 825.73] | J/mol×K | [855.68; 1072.49] | 
|
| Cp,gas | 769.70 | J/mol×K | 855.68 | Joback Calculated Property |
| Cp,gas | 781.76 | J/mol×K | 891.81 | Joback Calculated Property |
| Cp,gas | 792.69 | J/mol×K | 927.95 | Joback Calculated Property |
| Cp,gas | 802.52 | J/mol×K | 964.08 | Joback Calculated Property |
| Cp,gas | 811.28 | J/mol×K | 1000.22 | Joback Calculated Property |
| Cp,gas | 819.00 | J/mol×K | 1036.35 | Joback Calculated Property |
| Cp,gas | 825.73 | J/mol×K | 1072.49 | Joback Calculated Property |
| η | [0.0000333; 0.0003980] | Pa×s | [522.17; 855.68] |
|
| η | 0.0003980 | Pa×s | 522.17 | Joback Calculated Property |
| η | 0.0002157 | Pa×s | 577.76 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 633.34 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 688.93 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 744.51 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 800.10 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 855.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexyl 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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