- InChI
- InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12?,13?,14?,15-/m0/s1
- InChI Key
- LHYHMMRYTDARSZ-BOADVZGGSA-N
- Formula
- C15H26O
- SMILES
- CC1=CC2C(C(C)C)CCC(C)(O)C2CC1
- Molecular Weight1
- 222.37
- 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).
- IE : Ionization energy (eV).
- 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 | -285.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Inp | 1675.00 | NIST | |
| Tboil | 557.65 | 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 | [266.10; 765.30] | 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 | -1.44140e+02 | |||
| Coefficient B | 1.85558e+00 | |||
| Coefficient C | -1.42264e-03 | |||
| Coefficient D | 4.76500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 266.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 355.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 432.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 499.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 557.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 607.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 652.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 692.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 729.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 765.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cadin-4-en-10-«beta»-ol.
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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