- InChI
- InChI=1S/C11H20O/c1-10-6-2-4-8-11(10,12)9-5-3-7-10/h12H,2-9H2,1H3/t10-,11-
- InChI Key
- UWRUMJPLZZBUCM-XYPYZODXSA-N
- Formula
- C11H20O
- SMILES
- C[C@]12CCCC[C@@]1(O)CCCC2
- Molecular Weight1
- 168.28
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -338.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.61 | kJ/mol | Joback Calculated Property |
| IE | 9.45 ± 0.02 | eV | NIST |
| logPoct/wat | 2.872 | Crippen Calculated Property | |
| McVol | 150.000 | ml/mol | McGowan Calculated Property |
| Tboil | 502.84 | K | Relay (1.0) Calculated Property |
| Tfus | 373.90 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [177.03; 586.75] | 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 | -2.22770e+02 | |||
| Coefficient B | 1.93002e+00 | |||
| Coefficient C | -1.92500e-03 | |||
| Coefficient D | 8.04500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 254.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 318.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 370.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 414.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 451.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 484.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 516.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 549.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 586.75 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4a(2H)-Naphthalenol,octahydro-8a-methyl-cis-.
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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