- InChI
- InChI=1S/C15H26O2/c1-11(2)9-15(16)17-10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3
- InChI Key
- VJJQDACGAQKNSG-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- CC1=CCC(C(C)COC(=O)CC(C)C)CC1
- Molecular Weight1
- 238.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | -532.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.958 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Inp | 1640.00 | NIST | |
| Tboil | 537.07 | K | Relay (1.0) Calculated Property |
| Tc | 738.32 | 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 | [593.61; 696.94] | J/mol×K | [641.70; 843.11] | 
|
| Cp,gas | 593.61 | J/mol×K | 641.70 | Joback Calculated Property |
| Cp,gas | 613.50 | J/mol×K | 675.27 | Joback Calculated Property |
| Cp,gas | 632.29 | J/mol×K | 708.84 | Joback Calculated Property |
| Cp,gas | 650.01 | J/mol×K | 742.41 | Joback Calculated Property |
| Cp,gas | 666.68 | J/mol×K | 775.97 | Joback Calculated Property |
| Cp,gas | 682.31 | J/mol×K | 809.54 | Joback Calculated Property |
| Cp,gas | 696.94 | J/mol×K | 843.11 | Joback Calculated Property |
| η | [0.0001290; 0.0035846] | Pa×s | [321.63; 641.70] |
|
| η | 0.0035846 | Pa×s | 321.63 | Joback Calculated Property |
| η | 0.0013886 | Pa×s | 374.98 | Joback Calculated Property |
| η | 0.0006813 | Pa×s | 428.32 | Joback Calculated Property |
| η | 0.0003913 | Pa×s | 481.67 | Joback Calculated Property |
| η | 0.0002511 | Pa×s | 535.01 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 588.36 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 641.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-p-Menthen-9-yl 3-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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