- InChI
- InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-14(21-5)9-11-15/h8-11,13H,6-7,12H2,1-5H3
- InChI Key
- DWIIBEKUGVPIHM-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(OC)cc1 - Molecular Weight1
- 322.40
- 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).
- IE : Ionization energy (eV).
- 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 | -911.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.606 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Inp | 2150.00 | NIST | |
| Tboil | 619.48 | 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, 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 | [780.09; 858.45] | J/mol×K | [778.29; 982.81] | 
|
| Cp,gas | 780.09 | J/mol×K | 778.29 | Joback Calculated Property |
| Cp,gas | 796.18 | J/mol×K | 812.38 | Joback Calculated Property |
| Cp,gas | 811.02 | J/mol×K | 846.46 | Joback Calculated Property |
| Cp,gas | 824.65 | J/mol×K | 880.55 | Joback Calculated Property |
| Cp,gas | 837.08 | J/mol×K | 914.63 | Joback Calculated Property |
| Cp,gas | 848.33 | J/mol×K | 948.72 | Joback Calculated Property |
| Cp,gas | 858.45 | J/mol×K | 982.81 | Joback Calculated Property |
| η | [0.0000318; 0.0009222] | Pa×s | [425.87; 778.29] |
|
| η | 0.0009222 | Pa×s | 425.87 | Joback Calculated Property |
| η | 0.0003744 | Pa×s | 484.61 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 543.34 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 602.08 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 660.82 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 719.55 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 778.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 4-methoxyphenyl 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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