- InChI
- InChI=1S/C13H24O2/c1-11(2)8-6-5-7-9-15-13(14)10-12(3)4/h6,8,11-12H,5,7,9-10H2,1-4H3/b8-6+
- InChI Key
- BIMWVGHGEVBMJM-SOFGYWHQSA-N
- Formula
- C13H24O2
- SMILES
- CC(C)C=CCCCOC(=O)CC(C)C
- Molecular Weight1
- 212.33
- CAS
- 1215128-06-5
- 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 | -573.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.568 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Inp | [1387.60; 1387.60] |
|
|
| Inp | 1387.60 | NIST | |
| Inp | 1387.60 | NIST | |
| Tboil | 470.48 | K | Relay (1.0) Calculated Property |
| Tc | 680.62 | 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 | [489.37; 579.59] | J/mol×K | [558.54; 737.48] |
|
| Cp,gas | 489.37 | J/mol×K | 558.54 | Joback Calculated Property |
| Cp,gas | 506.31 | J/mol×K | 588.36 | Joback Calculated Property |
| Cp,gas | 522.46 | J/mol×K | 618.19 | Joback Calculated Property |
| Cp,gas | 537.85 | J/mol×K | 648.01 | Joback Calculated Property |
| Cp,gas | 552.48 | J/mol×K | 677.83 | Joback Calculated Property |
| Cp,gas | 566.39 | J/mol×K | 707.65 | Joback Calculated Property |
| Cp,gas | 579.59 | J/mol×K | 737.48 | Joback Calculated Property |
| η | [0.0001169; 0.0113671] | Pa×s | [243.52; 558.54] |
|
| η | 0.0113671 | Pa×s | 243.52 | Joback Calculated Property |
| η | 0.0026952 | Pa×s | 296.02 | Joback Calculated Property |
| η | 0.0009859 | Pa×s | 348.53 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 401.03 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 453.53 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 506.04 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 558.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methylhept-4-en-1-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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