- InChI
- InChI=1S/C23H42Cl2O4/c1-3-23(4-2,21(26)28-19-15-11-7-5-9-13-17-24)22(27)29-20-16-12-8-6-10-14-18-25/h3-20H2,1-2H3
- InChI Key
- FMHWGGNEXKANLA-UHFFFAOYSA-N
- Formula
- C23H42Cl2O4
- SMILES
-
CCC(CC)(C(=O)OCCCCCCCCCl)C(=O)
OCCCCCCCCCl - Molecular Weight1
- 453.48
- 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 | -1158.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.038 | Crippen Calculated Property | |
| McVol | 374.290 | ml/mol | McGowan Calculated Property |
| Inp | 2996.00 | NIST | |
| Tboil | 637.80 | K | Relay (1.0) Calculated Property |
| Tfus | 314.01 | 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 | [1214.66; 1301.47] | J/mol×K | [949.85; 1163.65] | 
|
| Cp,gas | 1214.66 | J/mol×K | 949.85 | Joback Calculated Property |
| Cp,gas | 1232.20 | J/mol×K | 985.48 | Joback Calculated Property |
| Cp,gas | 1248.43 | J/mol×K | 1021.12 | Joback Calculated Property |
| Cp,gas | 1263.41 | J/mol×K | 1056.75 | Joback Calculated Property |
| Cp,gas | 1277.21 | J/mol×K | 1092.38 | Joback Calculated Property |
| Cp,gas | 1289.87 | J/mol×K | 1128.02 | Joback Calculated Property |
| Cp,gas | 1301.47 | J/mol×K | 1163.65 | Joback Calculated Property |
| η | [0.0000184; 0.0003142] | Pa×s | [555.55; 949.85] |
|
| η | 0.0003142 | Pa×s | 555.55 | Joback Calculated Property |
| η | 0.0001525 | Pa×s | 621.27 | Joback Calculated Property |
| η | 0.0000850 | Pa×s | 686.98 | Joback Calculated Property |
| η | 0.0000525 | Pa×s | 752.70 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 818.42 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 884.13 | Joback Calculated Property |
| η | 0.0000184 | Pa×s | 949.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(8-chlorooctyl) 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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