- 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.
- Ip : 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 | |
| Ip | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.22; 724.84] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.49360e+02 | |||
| Coefficient B | 1.68930e+00 | |||
| Coefficient C | -1.05220e-03 | |||
| Coefficient D | 2.37100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 405.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 474.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 533.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 585.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 629.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 667.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 698.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 724.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045769; 0.0001565] | Pa×s | [370.64; 652.51] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32014e+01 | |||
| Coefficient B | 2.89643e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 370.64 | |||
| Temperature range, max. | 652.51 | |||
| η | 0.0045769 | Pa×s | 370.64 | Calculated Property |
| η | 0.0024897 | Pa×s | 401.96 | Calculated Property |
| η | 0.0014789 | Pa×s | 433.28 | Calculated Property |
| η | 0.0009424 | Pa×s | 464.60 | Calculated Property |
| η | 0.0006357 | Pa×s | 495.92 | Calculated Property |
| η | 0.0004493 | Pa×s | 527.24 | Calculated Property |
| η | 0.0003302 | Pa×s | 558.55 | Calculated Property |
| η | 0.0002507 | Pa×s | 589.87 | Calculated Property |
| η | 0.0001957 | Pa×s | 621.19 | Calculated Property |
| η | 0.0001565 | Pa×s | 652.51 | 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
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