- InChI
- InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)14-9-11(3)5-8-15(14)17/h5,8-10,13,17H,6-7H2,1-4H3
- InChI Key
- UFWXDPOVAJYDEP-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CC(=O)CCC(c1cc(C)ccc1O)C(C)C
- Molecular Weight1
- 234.33
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -412.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.809 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Inp | [1745.00; 1745.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1745.00 | NIST | |
| I | [2683.00; 2683.00] |
|
|
| I | 2683.00 | NIST | |
| I | 2683.00 | NIST | |
| Tboil | 588.01 | K | Relay (1.0) Calculated Property |
| Tfus | 354.87 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.17; 684.14] | 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 | -3.52780e+01 | |||
| Coefficient B | 1.42888e+00 | |||
| Coefficient C | -1.00042e-03 | |||
| Coefficient D | 2.90960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 286.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 357.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 420.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 475.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 522.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 563.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 599.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 630.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 658.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 684.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008191; 0.0000233] | Pa×s | [429.40; 647.29] |
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 | -1.76792e+01 | |||
| Coefficient B | 4.53961e+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. | 429.40 | |||
| Temperature range, max. | 647.29 | |||
| η | 0.0008191 | Pa×s | 429.40 | Calculated Property |
| η | 0.0004659 | Pa×s | 453.61 | Calculated Property |
| η | 0.0002806 | Pa×s | 477.82 | Calculated Property |
| η | 0.0001775 | Pa×s | 502.03 | Calculated Property |
| η | 0.0001171 | Pa×s | 526.24 | Calculated Property |
| η | 0.0000801 | Pa×s | 550.45 | Calculated Property |
| η | 0.0000566 | Pa×s | 574.66 | Calculated Property |
| η | 0.0000411 | Pa×s | 598.87 | Calculated Property |
| η | 0.0000306 | Pa×s | 623.08 | Calculated Property |
| η | 0.0000233 | Pa×s | 647.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Sesquichamaenol.
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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