- InChI
- InChI=1S/C18H34O5/c1-6-9-12-22-16(19)18(7-2,8-3)17(20)23-14-11-15(4)10-13-21-5/h15H,6-14H2,1-5H3
- InChI Key
- RRYXUNUEKODAGR-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCCC(C
)CCOC - Molecular Weight1
- 330.46
- 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 | -1137.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.61 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.742 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Inp | 1935.00 | NIST | |
| Tboil | 590.28 | K | Relay (1.0) Calculated Property |
| Tfus | 237.02 | 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 | [866.72; 957.83] | J/mol×K | [746.63; 926.79] | 
|
| Cp,gas | 866.72 | J/mol×K | 746.63 | Joback Calculated Property |
| Cp,gas | 884.48 | J/mol×K | 776.66 | Joback Calculated Property |
| Cp,gas | 901.19 | J/mol×K | 806.68 | Joback Calculated Property |
| Cp,gas | 916.87 | J/mol×K | 836.71 | Joback Calculated Property |
| Cp,gas | 931.52 | J/mol×K | 866.73 | Joback Calculated Property |
| Cp,gas | 945.17 | J/mol×K | 896.76 | Joback Calculated Property |
| Cp,gas | 957.83 | J/mol×K | 926.79 | Joback Calculated Property |
| η | [0.0000321; 0.0016960] | Pa×s | [386.93; 746.63] |
|
| η | 0.0016960 | Pa×s | 386.93 | Joback Calculated Property |
| η | 0.0005621 | Pa×s | 446.88 | Joback Calculated Property |
| η | 0.0002419 | Pa×s | 506.83 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 566.78 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 626.73 | Joback Calculated Property |
| η | 0.0000466 | Pa×s | 686.68 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 746.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 5-methoxy-3-methylpentyl 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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