- InChI
- InChI=1S/C16H30O5/c1-8-16(9-2,13(17)19-10-3)14(18)21-12(4)11-20-15(5,6)7/h12H,8-11H2,1-7H3
- InChI Key
- TWOPSTSLOZAQRH-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OC(C)COC
(C)(C)C - Molecular Weight1
- 302.41
- 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 | -1151.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.103 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Inp | [1645.00; 1645.00] |
|
|
| Inp | 1645.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Tboil | 552.48 | K | Relay (1.0) Calculated Property |
| Tfus | 280.66 | 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 | [753.68; 844.00] | J/mol×K | [697.64; 883.70] |
|
| Cp,gas | 753.68 | J/mol×K | 697.64 | Joback Calculated Property |
| Cp,gas | 771.33 | J/mol×K | 728.65 | Joback Calculated Property |
| Cp,gas | 787.90 | J/mol×K | 759.66 | Joback Calculated Property |
| Cp,gas | 803.42 | J/mol×K | 790.67 | Joback Calculated Property |
| Cp,gas | 817.93 | J/mol×K | 821.68 | Joback Calculated Property |
| Cp,gas | 831.44 | J/mol×K | 852.69 | Joback Calculated Property |
| Cp,gas | 844.00 | J/mol×K | 883.70 | Joback Calculated Property |
| η | [0.0000373; 0.0024533] | Pa×s | [366.81; 697.64] |
|
| η | 0.0024533 | Pa×s | 366.81 | Joback Calculated Property |
| η | 0.0007742 | Pa×s | 421.95 | Joback Calculated Property |
| η | 0.0003190 | Pa×s | 477.09 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 532.23 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 587.36 | Joback Calculated Property |
| η | 0.0000556 | Pa×s | 642.50 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 697.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl 1-tert-butyloxyprop-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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