- InChI
- InChI=1S/C12H22O2/c1-10(2)6-3-4-7-11-8-5-9-12(13)14-11/h10-11H,3-9H2,1-2H3
- InChI Key
- HORZJHMTLLMPDU-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)CCCCC1CCCC(=O)O1
- Molecular Weight1
- 198.30
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -573.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.298 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Inp | [1687.00; 1687.00] |
|
|
| Inp | 1687.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Tboil | 591.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [444.80; 539.88] | J/mol×K | [542.95; 730.93] |
|
| Cp,gas | 444.80 | J/mol×K | 542.95 | Joback Calculated Property |
| Cp,gas | 462.83 | J/mol×K | 574.28 | Joback Calculated Property |
| Cp,gas | 479.96 | J/mol×K | 605.61 | Joback Calculated Property |
| Cp,gas | 496.20 | J/mol×K | 636.94 | Joback Calculated Property |
| Cp,gas | 511.58 | J/mol×K | 668.27 | Joback Calculated Property |
| Cp,gas | 526.13 | J/mol×K | 699.60 | Joback Calculated Property |
| Cp,gas | 539.88 | J/mol×K | 730.93 | Joback Calculated Property |
| η | [0.0002788; 0.0055184] | Pa×s | [266.75; 542.95] |
|
| η | 0.0055184 | Pa×s | 266.75 | Joback Calculated Property |
| η | 0.0023266 | Pa×s | 312.78 | Joback Calculated Property |
| η | 0.0012242 | Pa×s | 358.82 | Joback Calculated Property |
| η | 0.0007455 | Pa×s | 404.85 | Joback Calculated Property |
| η | 0.0005023 | Pa×s | 450.88 | Joback Calculated Property |
| η | 0.0003642 | Pa×s | 496.92 | Joback Calculated Property |
| η | 0.0002788 | Pa×s | 542.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Methylundecan-5-olide.
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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