- InChI
- InChI=1S/C11H16O5/c1-5-8-14-9(12)6-7-10(13)15-16-11(2,3)4/h5-7H,1,8H2,2-4H3/b7-6+
- InChI Key
- ZPVRKKIWIZMFSM-VOTSOKGWSA-N
- Formula
- C11H16O5
- SMILES
- C=CCOC(=O)C=CC(=O)OOC(C)(C)C
- Molecular Weight1
- 228.24
- CAS
- 52345-51-4
- 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 | -686.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -673.20 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 25.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.545 | Crippen Calculated Property | |
| McVol | 178.000 | ml/mol | McGowan Calculated Property |
| Tboil | 522.86 | 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 | [443.15; 514.11] | J/mol×K | [587.75; 780.02] | 
|
| Cp,gas | 443.15 | J/mol×K | 587.75 | Joback Calculated Property |
| Cp,gas | 456.92 | J/mol×K | 619.80 | Joback Calculated Property |
| Cp,gas | 469.90 | J/mol×K | 651.84 | Joback Calculated Property |
| Cp,gas | 482.08 | J/mol×K | 683.89 | Joback Calculated Property |
| Cp,gas | 493.50 | J/mol×K | 715.93 | Joback Calculated Property |
| Cp,gas | 504.17 | J/mol×K | 747.98 | Joback Calculated Property |
| Cp,gas | 514.11 | J/mol×K | 780.02 | Joback Calculated Property |
| η | [0.0000895; 0.0029810] | Pa×s | [316.20; 587.75] |
|
| η | 0.0029810 | Pa×s | 316.20 | Joback Calculated Property |
| η | 0.0011527 | Pa×s | 361.46 | Joback Calculated Property |
| η | 0.0005507 | Pa×s | 406.72 | Joback Calculated Property |
| η | 0.0003051 | Pa×s | 451.98 | Joback Calculated Property |
| η | 0.0001882 | Pa×s | 497.23 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 542.49 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 587.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Allyl oo-tert-butylperfumarate.
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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