- InChI
- InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6H,3,5,7-9H2,1-2,4H3
- InChI Key
- CVMCLMIPPLWKLI-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=C(CCC=C(C)C)CCOC(C)=O
- Molecular Weight1
- 196.29
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -438.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Inp | 1276.00 | NIST | |
| Tboil | 508.71 | K | Relay (1.0) Calculated Property |
| Tfus | 222.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [419.39; 501.85] | J/mol×K | [532.98; 715.89] | 
|
| Cp,gas | 419.39 | J/mol×K | 532.98 | Joback Calculated Property |
| Cp,gas | 434.93 | J/mol×K | 563.47 | Joback Calculated Property |
| Cp,gas | 449.72 | J/mol×K | 593.95 | Joback Calculated Property |
| Cp,gas | 463.78 | J/mol×K | 624.44 | Joback Calculated Property |
| Cp,gas | 477.14 | J/mol×K | 654.92 | Joback Calculated Property |
| Cp,gas | 489.82 | J/mol×K | 685.41 | Joback Calculated Property |
| Cp,gas | 501.85 | J/mol×K | 715.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to .gamma.-isogeranyl acetate.
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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