- InChI
- InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h11-12,14H,4-10,13H2,1-3H3/b12-11+
- InChI Key
- DWOVFZMUPZHBTN-VAWYXSNFSA-N
- Formula
- C16H28O2
- SMILES
- CCCCCCCCC=CCOC(=O)C=C(C)C
- Molecular Weight1
- 252.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 39.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.803 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Inp | [1796.00; 1796.00] |
|
|
| Inp | 1796.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Tboil | 553.73 | K | Relay (1.0) Calculated Property |
| Tc | 742.39 | K | Relay (1.0) Calculated Property |
| Tfus | 248.52 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [633.83; 725.69] | J/mol×K | [649.97; 830.08] |
|
| Cp,gas | 633.83 | J/mol×K | 649.97 | Joback Calculated Property |
| Cp,gas | 651.07 | J/mol×K | 679.99 | Joback Calculated Property |
| Cp,gas | 667.50 | J/mol×K | 710.01 | Joback Calculated Property |
| Cp,gas | 683.13 | J/mol×K | 740.02 | Joback Calculated Property |
| Cp,gas | 698.02 | J/mol×K | 770.04 | Joback Calculated Property |
| Cp,gas | 712.19 | J/mol×K | 800.06 | Joback Calculated Property |
| Cp,gas | 725.69 | J/mol×K | 830.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, undec-2-enyl 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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