- InChI
- InChI=1S/C26H39Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32-24(30)26(2,3)25(31)33-23-21(28)18-20(27)19-22(23)29/h18-19H,4-17H2,1-3H3
- InChI Key
- DLKNKPYNAPLIPH-UHFFFAOYSA-N
- Formula
- C26H39Cl3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(
=O)Oc1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 521.95
- 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).
- 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 | -1015.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 9.213 | Crippen Calculated Property | |
| McVol | 405.040 | ml/mol | McGowan Calculated Property |
| Tboil | 658.78 | K | Relay (1.0) Calculated Property |
| Tfus | 318.42 | 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 | [1299.65; 1358.91] | J/mol×K | [1061.60; 1301.37] | 
|
| Cp,gas | 1299.65 | J/mol×K | 1061.60 | Joback Calculated Property |
| Cp,gas | 1313.16 | J/mol×K | 1101.56 | Joback Calculated Property |
| Cp,gas | 1325.10 | J/mol×K | 1141.52 | Joback Calculated Property |
| Cp,gas | 1335.55 | J/mol×K | 1181.48 | Joback Calculated Property |
| Cp,gas | 1344.61 | J/mol×K | 1221.45 | Joback Calculated Property |
| Cp,gas | 1352.37 | J/mol×K | 1261.41 | Joback Calculated Property |
| Cp,gas | 1358.91 | J/mol×K | 1301.37 | Joback Calculated Property |
| η | [0.0000077; 0.0001210] | Pa×s | [623.60; 1061.60] |
|
| η | 0.0001210 | Pa×s | 623.60 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 696.60 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 769.60 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 842.60 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 915.60 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 988.60 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 1061.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentadecyl 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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