- InChI
- InChI=1S/C17H32O4/c1-6-10-12-20-15(18)17(8-3,9-4)16(19)21-13-14(5)11-7-2/h14H,6-13H2,1-5H3
- InChI Key
- GNMOAVVJELTEJH-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCC(C)
CCC - Molecular Weight1
- 300.43
- 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 | -1009.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.115 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Inp | [1684.00; 1684.00] |
|
|
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 566.32 | K | Relay (1.0) Calculated Property |
| Tfus | 228.60 | 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 | [777.95; 870.59] | J/mol×K | [701.33; 880.20] |
|
| Cp,gas | 777.95 | J/mol×K | 701.33 | Joback Calculated Property |
| Cp,gas | 795.81 | J/mol×K | 731.14 | Joback Calculated Property |
| Cp,gas | 812.67 | J/mol×K | 760.95 | Joback Calculated Property |
| Cp,gas | 828.55 | J/mol×K | 790.77 | Joback Calculated Property |
| Cp,gas | 843.48 | J/mol×K | 820.58 | Joback Calculated Property |
| Cp,gas | 857.49 | J/mol×K | 850.39 | Joback Calculated Property |
| Cp,gas | 870.59 | J/mol×K | 880.20 | Joback Calculated Property |
| η | [0.0000508; 0.0032753] | Pa×s | [353.43; 701.33] |
|
| η | 0.0032753 | Pa×s | 353.43 | Joback Calculated Property |
| η | 0.0010025 | Pa×s | 411.41 | Joback Calculated Property |
| η | 0.0004111 | Pa×s | 469.40 | Joback Calculated Property |
| η | 0.0002051 | Pa×s | 527.38 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 585.36 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 643.35 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 701.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 2-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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