- InChI
- InChI=1S/C12H20O3/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h8-11,13H,2-7H2,1H3/t8?,9?,10-,11-/m1/s1
- InChI Key
- WDHAHCIDYFOARH-JPPWEJMLSA-N
- Formula
- C12H20O3
- SMILES
- COC(=O)C1CCC2CC(O)CCC2C1
- Molecular Weight1
- 212.29
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -654.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.13 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.737 | Crippen Calculated Property | |
| McVol | 171.530 | ml/mol | McGowan Calculated Property |
| Tboil | 575.51 | 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 | [507.88; 600.25] | J/mol×K | [645.78; 849.21] | 
|
| Cp,gas | 507.88 | J/mol×K | 645.78 | Joback Calculated Property |
| Cp,gas | 526.02 | J/mol×K | 679.69 | Joback Calculated Property |
| Cp,gas | 543.02 | J/mol×K | 713.59 | Joback Calculated Property |
| Cp,gas | 558.92 | J/mol×K | 747.50 | Joback Calculated Property |
| Cp,gas | 573.74 | J/mol×K | 781.40 | Joback Calculated Property |
| Cp,gas | 587.51 | J/mol×K | 815.31 | Joback Calculated Property |
| Cp,gas | 600.25 | J/mol×K | 849.21 | Joback Calculated Property |
| η | [0.0001342; 0.0071020] | Pa×s | [341.47; 645.78] |
|
| η | 0.0071020 | Pa×s | 341.47 | Joback Calculated Property |
| η | 0.0023896 | Pa×s | 392.19 | Joback Calculated Property |
| η | 0.0010319 | Pa×s | 442.91 | Joback Calculated Property |
| η | 0.0005295 | Pa×s | 493.62 | Joback Calculated Property |
| η | 0.0003077 | Pa×s | 544.34 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 595.06 | Joback Calculated Property |
| η | 0.0001342 | Pa×s | 645.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2«beta»-hydroxy-6«beta»-methoxyformyl-trans-decalin.
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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