- InChI
- InChI=1S/C24H35Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-30-22(28)24(2,3)23(29)31-21-19(26)16-18(25)17-20(21)27/h16-17H,4-15H2,1-3H3
- InChI Key
- UBDGSCKYGHBSRB-UHFFFAOYSA-N
- Formula
- C24H35Cl3O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O
)Oc1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 493.89
- 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 | -973.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.34 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.433 | Crippen Calculated Property | |
| McVol | 376.860 | ml/mol | McGowan Calculated Property |
| Inp | 3078.00 | NIST | |
| Tboil | 644.83 | K | Relay (1.0) Calculated Property |
| Tfus | 315.24 | 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 | [1178.27; 1237.11] | J/mol×K | [1015.84; 1243.72] | 
|
| Cp,gas | 1178.27 | J/mol×K | 1015.84 | Joback Calculated Property |
| Cp,gas | 1191.40 | J/mol×K | 1053.82 | Joback Calculated Property |
| Cp,gas | 1203.10 | J/mol×K | 1091.80 | Joback Calculated Property |
| Cp,gas | 1213.46 | J/mol×K | 1129.78 | Joback Calculated Property |
| Cp,gas | 1222.53 | J/mol×K | 1167.76 | Joback Calculated Property |
| Cp,gas | 1230.39 | J/mol×K | 1205.74 | Joback Calculated Property |
| Cp,gas | 1237.11 | J/mol×K | 1243.72 | Joback Calculated Property |
| η | [0.0000107; 0.0001601] | Pa×s | [601.06; 1015.84] |
|
| η | 0.0001601 | Pa×s | 601.06 | Joback Calculated Property |
| η | 0.0000808 | Pa×s | 670.19 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 739.32 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 808.45 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 877.58 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 946.71 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1015.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,4,6-trichlorophenyl tridecyl 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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