- InChI
- InChI=1S/C14H24O3/c1-12-10-13(15)8-6-4-2-3-5-7-9-14(16)17-11-12/h12H,2-11H2,1H3
- InChI Key
- UXFNPDNBDMXQNY-UHFFFAOYSA-N
- Formula
- C14H24O3
- SMILES
- CC1COC(=O)CCCCCCCCC(=O)C1
- Molecular Weight1
- 240.34
- Other Names
-
- 13-Methyloxacyclotetradecane-2,11-dione
- 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 | -735.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.259 | Crippen Calculated Property | |
| McVol | 206.270 | ml/mol | McGowan Calculated Property |
| Inp | [2137.00; 2140.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Tboil | 650.41 | K | Relay (1.0) Calculated Property |
| Tfus | 327.24 | 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 | [610.60; 727.51] | J/mol×K | [691.13; 935.76] |
|
| Cp,gas | 610.60 | J/mol×K | 691.13 | Joback Calculated Property |
| Cp,gas | 635.38 | J/mol×K | 731.90 | Joback Calculated Property |
| Cp,gas | 658.14 | J/mol×K | 772.67 | Joback Calculated Property |
| Cp,gas | 678.81 | J/mol×K | 813.45 | Joback Calculated Property |
| Cp,gas | 697.31 | J/mol×K | 854.22 | Joback Calculated Property |
| Cp,gas | 713.57 | J/mol×K | 894.99 | Joback Calculated Property |
| Cp,gas | 727.51 | J/mol×K | 935.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxacyclotetradecane-2,11-dione, 13-methyl-.
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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