- InChI
- InChI=1S/C19H35ClO4/c1-5-19(6-2,18(22)24-15-16(3)4)17(21)23-14-12-10-8-7-9-11-13-20/h16H,5-15H2,1-4H3
- InChI Key
- LMXJIWNPDHVCFW-UHFFFAOYSA-N
- Formula
- C19H35ClO4
- SMILES
-
CCC(CC)(C(=O)OCCCCCCCCCl)C(=O)
OCC(C)C - Molecular Weight1
- 362.93
- 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 | -1077.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.115 | Crippen Calculated Property | |
| McVol | 305.690 | ml/mol | McGowan Calculated Property |
| Inp | 2262.00 | NIST | |
| Tboil | 603.06 | 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 | [927.07; 1015.05] | J/mol×K | [784.52; 969.75] | 
|
| Cp,gas | 927.07 | J/mol×K | 784.52 | Joback Calculated Property |
| Cp,gas | 944.36 | J/mol×K | 815.39 | Joback Calculated Property |
| Cp,gas | 960.55 | J/mol×K | 846.26 | Joback Calculated Property |
| Cp,gas | 975.69 | J/mol×K | 877.14 | Joback Calculated Property |
| Cp,gas | 989.80 | J/mol×K | 908.01 | Joback Calculated Property |
| Cp,gas | 1002.91 | J/mol×K | 938.88 | Joback Calculated Property |
| Cp,gas | 1015.05 | J/mol×K | 969.75 | Joback Calculated Property |
| η | [0.0000310; 0.0016221] | Pa×s | [405.89; 784.52] |
|
| η | 0.0016221 | Pa×s | 405.89 | Joback Calculated Property |
| η | 0.0005381 | Pa×s | 469.00 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 532.10 | Joback Calculated Property |
| η | 0.0001195 | Pa×s | 595.20 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 658.31 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 721.41 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 784.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 8-chlorooctyl isobutyl 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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