- InChI
- InChI=1S/C14H22O2/c1-9(2)13(15)16-8-10-5-6-11-7-12(10)14(11,3)4/h5,9,11-12H,6-8H2,1-4H3
- InChI Key
- HPAQTXNDJUZELN-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- CC(C)C(=O)OCC1=CCC2CC1C2(C)C
- Molecular Weight1
- 222.32
- CAS
- 29021-37-2
- Other Names
-
- Myrtenyl isobutyrate
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 22.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.178 | Crippen Calculated Property | |
| McVol | 189.540 | ml/mol | McGowan Calculated Property |
| Inp | [1466.40; 1466.40] |
|
|
| Inp | 1466.40 | NIST | |
| Inp | 1466.40 | NIST | |
| Tboil | 516.04 | K | Relay (1.0) Calculated Property |
| Tfus | 288.05 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [513.59; 612.15] | J/mol×K | [595.16; 800.98] |
|
| Cp,gas | 513.59 | J/mol×K | 595.16 | Joback Calculated Property |
| Cp,gas | 532.33 | J/mol×K | 629.46 | Joback Calculated Property |
| Cp,gas | 549.98 | J/mol×K | 663.77 | Joback Calculated Property |
| Cp,gas | 566.66 | J/mol×K | 698.07 | Joback Calculated Property |
| Cp,gas | 582.50 | J/mol×K | 732.37 | Joback Calculated Property |
| Cp,gas | 597.62 | J/mol×K | 766.68 | Joback Calculated Property |
| Cp,gas | 612.15 | J/mol×K | 800.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-pinen-10-yl isobutyrate.
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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