- InChI
- InChI=1S/C11H18O5/c1-5-8-14-9(12)6-7-10(13)15-16-11(2,3)4/h5H,1,6-8H2,2-4H3
- InChI Key
- QPPROZHNOJODIC-UHFFFAOYSA-N
- Formula
- C11H18O5
- SMILES
- C=CCOC(=O)CCC(=O)OOC(C)(C)C
- Molecular Weight1
- 230.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -772.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -817.00 ± 4.00 | kJ/mol | NIST |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.769 | Crippen Calculated Property | |
| McVol | 182.300 | ml/mol | McGowan Calculated Property |
| Tboil | 523.10 | 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 | [462.93; 537.41] | J/mol×K | [583.59; 768.49] | 
|
| Cp,gas | 462.93 | J/mol×K | 583.59 | Joback Calculated Property |
| Cp,gas | 477.20 | J/mol×K | 614.41 | Joback Calculated Property |
| Cp,gas | 490.71 | J/mol×K | 645.22 | Joback Calculated Property |
| Cp,gas | 503.49 | J/mol×K | 676.04 | Joback Calculated Property |
| Cp,gas | 515.52 | J/mol×K | 706.86 | Joback Calculated Property |
| Cp,gas | 526.83 | J/mol×K | 737.67 | Joback Calculated Property |
| Cp,gas | 537.41 | J/mol×K | 768.49 | Joback Calculated Property |
| η | [0.0001055; 0.0031299] | Pa×s | [321.28; 583.59] |
|
| η | 0.0031299 | Pa×s | 321.28 | Joback Calculated Property |
| η | 0.0012683 | Pa×s | 365.00 | Joback Calculated Property |
| η | 0.0006235 | Pa×s | 408.72 | Joback Calculated Property |
| η | 0.0003516 | Pa×s | 452.43 | Joback Calculated Property |
| η | 0.0002193 | Pa×s | 496.15 | Joback Calculated Property |
| η | 0.0001477 | Pa×s | 539.87 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 583.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Allyl oo-tert-butylsuccinate.
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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