- InChI
- InChI=1S/C15H26O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h12,14H,1,5,7-10H2,2-4,6H3
- InChI Key
- FXRBIJGTVLCHGJ-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=C(C)CCC(COC(=O)CC(C)C)C(=C)C
- Molecular Weight1
- 238.37
- 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).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -505.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.124 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Inp | 1495.00 | NIST | |
| Tboil | 517.71 | K | Relay (1.0) Calculated Property |
| Tc | 711.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [569.57; 663.84] | J/mol×K | [593.26; 773.67] | 
|
| Cp,gas | 569.57 | J/mol×K | 593.26 | Joback Calculated Property |
| Cp,gas | 587.37 | J/mol×K | 623.33 | Joback Calculated Property |
| Cp,gas | 604.30 | J/mol×K | 653.40 | Joback Calculated Property |
| Cp,gas | 620.38 | J/mol×K | 683.47 | Joback Calculated Property |
| Cp,gas | 635.66 | J/mol×K | 713.54 | Joback Calculated Property |
| Cp,gas | 650.13 | J/mol×K | 743.60 | Joback Calculated Property |
| Cp,gas | 663.84 | J/mol×K | 773.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl 3-methylbutyrate.
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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