- InChI
- InChI=1S/C15H26Cl2O3/c1-3-15(4-2,13(17)18)14(19)20-12-10-8-6-5-7-9-11-16/h3-12H2,1-2H3
- InChI Key
- CNVCGVRDINAEJD-UHFFFAOYSA-N
- Formula
- C15H26Cl2O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCCCCCCCC
Cl - Molecular Weight1
- 325.27
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -810.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.681 | Crippen Calculated Property | |
| McVol | 255.700 | ml/mol | McGowan Calculated Property |
| Inp | [2071.00; 2071.00] |
|
|
| Inp | 2071.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Tboil | 573.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [705.24; 782.55] | J/mol×K | [726.52; 915.18] |
|
| Cp,gas | 705.24 | J/mol×K | 726.52 | Joback Calculated Property |
| Cp,gas | 720.26 | J/mol×K | 757.96 | Joback Calculated Property |
| Cp,gas | 734.38 | J/mol×K | 789.41 | Joback Calculated Property |
| Cp,gas | 747.64 | J/mol×K | 820.85 | Joback Calculated Property |
| Cp,gas | 760.06 | J/mol×K | 852.29 | Joback Calculated Property |
| Cp,gas | 771.68 | J/mol×K | 883.74 | Joback Calculated Property |
| Cp,gas | 782.55 | J/mol×K | 915.18 | Joback Calculated Property |
| η | [0.0000800; 0.0017213] | Pa×s | [413.33; 726.52] |
|
| η | 0.0017213 | Pa×s | 413.33 | Joback Calculated Property |
| η | 0.0007749 | Pa×s | 465.53 | Joback Calculated Property |
| η | 0.0004098 | Pa×s | 517.73 | Joback Calculated Property |
| η | 0.0002435 | Pa×s | 569.92 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 622.12 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 674.32 | Joback Calculated Property |
| η | 0.0000800 | Pa×s | 726.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 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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