- InChI
- InChI=1S/C16H30O4/c1-6-10-11-13(5)20-15(18)16(8-3,9-4)14(17)19-12-7-2/h13H,6-12H2,1-5H3
- InChI Key
- SQHZSKGKFSWKHQ-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CCCCC(C)OC(=O)C(CC)(CC)C(=O)OC
CC - Molecular Weight1
- 286.41
- 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 | -997.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Inp | [1603.00; 1603.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Tboil | 546.35 | K | Relay (1.0) Calculated Property |
| Tfus | 241.83 | 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 | [721.34; 812.69] | J/mol×K | [678.45; 857.63] |
|
| Cp,gas | 721.34 | J/mol×K | 678.45 | Joback Calculated Property |
| Cp,gas | 738.91 | J/mol×K | 708.31 | Joback Calculated Property |
| Cp,gas | 755.51 | J/mol×K | 738.18 | Joback Calculated Property |
| Cp,gas | 771.17 | J/mol×K | 768.04 | Joback Calculated Property |
| Cp,gas | 785.91 | J/mol×K | 797.90 | Joback Calculated Property |
| Cp,gas | 799.74 | J/mol×K | 827.76 | Joback Calculated Property |
| Cp,gas | 812.69 | J/mol×K | 857.63 | Joback Calculated Property |
| η | [0.0000593; 0.0038156] | Pa×s | [342.16; 678.45] |
|
| η | 0.0038156 | Pa×s | 342.16 | Joback Calculated Property |
| η | 0.0011694 | Pa×s | 398.21 | Joback Calculated Property |
| η | 0.0004799 | Pa×s | 454.26 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 510.31 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 566.35 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 622.40 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 678.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-hexyl propyl 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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