- InChI
- InChI=1S/C16H22O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-5,13-17H,6-11H2/t13-,14?,15?,16+/m0/s1
- InChI Key
- UYFIVGIKELBTNL-SLTXQBBLSA-N
- Formula
- C16H22O
- SMILES
- OC1CCC2CC(c3ccccc3)CCC2C1
- Molecular Weight1
- 230.35
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : 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 | -195.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.731 | Crippen Calculated Property | |
| McVol | 196.690 | ml/mol | McGowan Calculated Property |
| Inp | [1919.00; 1919.00] |
|
|
| Inp | 1919.00 | NIST | |
| Inp | 1919.00 | NIST | |
| I | 2923.00 | NIST | |
| Tboil | 630.73 | 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, 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 | [602.02; 703.01] | J/mol×K | [705.56; 931.90] |
|
| Cp,gas | 602.02 | J/mol×K | 705.56 | Joback Calculated Property |
| Cp,gas | 622.32 | J/mol×K | 743.28 | Joback Calculated Property |
| Cp,gas | 641.13 | J/mol×K | 781.01 | Joback Calculated Property |
| Cp,gas | 658.53 | J/mol×K | 818.73 | Joback Calculated Property |
| Cp,gas | 674.59 | J/mol×K | 856.45 | Joback Calculated Property |
| Cp,gas | 689.40 | J/mol×K | 894.17 | Joback Calculated Property |
| Cp,gas | 703.01 | J/mol×K | 931.90 | Joback Calculated Property |
| η | [0.0001121; 0.0045769] | Pa×s | [370.64; 705.56] |
|
| η | 0.0045769 | Pa×s | 370.64 | Joback Calculated Property |
| η | 0.0016457 | Pa×s | 426.46 | Joback Calculated Property |
| η | 0.0007498 | Pa×s | 482.28 | Joback Calculated Property |
| η | 0.0004021 | Pa×s | 538.10 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 593.92 | Joback Calculated Property |
| η | 0.0001595 | Pa×s | 649.74 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 705.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2«beta»-hydroxy-6«alpha»-phenyl-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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