- InChI
- InChI=1S/C15H26O2/c1-7-13(6)15(16)17-10-14(12(4)5)9-8-11(2)3/h8,13-14H,4,7,9-10H2,1-3,5-6H3
- InChI Key
- WBUQEUATHWMFQO-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)C(C)CC
- Molecular Weight1
- 238.37
- CAS
- 17609-96-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -514.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.38 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.124 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Inp | 1512.60 | NIST | |
| Tboil | 527.65 | 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, 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 | [571.46; 665.98] | J/mol×K | [600.74; 784.90] | 
|
| Cp,gas | 571.46 | J/mol×K | 600.74 | Joback Calculated Property |
| Cp,gas | 589.37 | J/mol×K | 631.43 | Joback Calculated Property |
| Cp,gas | 606.37 | J/mol×K | 662.13 | Joback Calculated Property |
| Cp,gas | 622.50 | J/mol×K | 692.82 | Joback Calculated Property |
| Cp,gas | 637.79 | J/mol×K | 723.52 | Joback Calculated Property |
| Cp,gas | 652.28 | J/mol×K | 754.21 | Joback Calculated Property |
| Cp,gas | 665.98 | J/mol×K | 784.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate.
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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