- InChI
- InChI=1S/C18H34O4/c1-7-10-13-21-16(19)18(8-2,9-3)17(20)22-15(6)12-11-14(4)5/h14-15H,7-13H2,1-6H3
- InChI Key
- UUQSPOPAGQWLLI-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OC(C)C
CC(C)C - Molecular Weight1
- 314.47
- 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 | -1051.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.68 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.504 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | 1799.00 | NIST | |
| Tboil | 563.11 | K | Relay (1.0) Calculated Property |
| Tfus | 244.69 | 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 | [836.09; 930.74] | J/mol×K | [723.77; 904.79] | 
|
| Cp,gas | 836.09 | J/mol×K | 723.77 | Joback Calculated Property |
| Cp,gas | 854.43 | J/mol×K | 753.94 | Joback Calculated Property |
| Cp,gas | 871.71 | J/mol×K | 784.11 | Joback Calculated Property |
| Cp,gas | 887.95 | J/mol×K | 814.28 | Joback Calculated Property |
| Cp,gas | 903.19 | J/mol×K | 844.45 | Joback Calculated Property |
| Cp,gas | 917.44 | J/mol×K | 874.62 | Joback Calculated Property |
| Cp,gas | 930.74 | J/mol×K | 904.79 | Joback Calculated Property |
| η | [0.0000401; 0.0039199] | Pa×s | [349.70; 723.77] |
|
| η | 0.0039199 | Pa×s | 349.70 | Joback Calculated Property |
| η | 0.0010247 | Pa×s | 412.05 | Joback Calculated Property |
| η | 0.0003811 | Pa×s | 474.39 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 536.74 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 599.08 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 661.42 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 723.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 5-methylhex-2-yl 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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