- InChI
- InChI=1S/C11H22O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h9-10,12H,4-8H2,1-3H3
- InChI Key
- SHNBWIOMPFKTMH-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CC(C)(C)C(O)C1CCCCC1
- Molecular Weight1
- 170.29
- CAS
- 62039-14-9
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 |
|---|---|---|---|
| ω | 0.5284 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -369.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.974 | Crippen Calculated Property | |
| McVol | 160.860 | ml/mol | McGowan Calculated Property |
| Pc | 2629.85 | kPa | Joback Calculated Property |
| Tboil | 497.70 | K | Relay (1.0) Calculated Property |
| Tc | 723.13 | K | Relay (1.0) Calculated Property |
| Tfus | 346.04 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 | [421.42; 516.46] | J/mol×K | [559.14; 757.69] | 
|
| Cp,gas | 421.42 | J/mol×K | 559.14 | Joback Calculated Property |
| Cp,gas | 439.77 | J/mol×K | 592.23 | Joback Calculated Property |
| Cp,gas | 457.06 | J/mol×K | 625.32 | Joback Calculated Property |
| Cp,gas | 473.33 | J/mol×K | 658.41 | Joback Calculated Property |
| Cp,gas | 488.62 | J/mol×K | 691.50 | Joback Calculated Property |
| Cp,gas | 502.98 | J/mol×K | 724.59 | Joback Calculated Property |
| Cp,gas | 516.46 | J/mol×K | 757.69 | Joback Calculated Property |
| η | [0.0000896; 0.0709016] | Pa×s | [269.35; 559.14] |
|
| η | 0.0709016 | Pa×s | 269.35 | Joback Calculated Property |
| η | 0.0100076 | Pa×s | 317.65 | Joback Calculated Property |
| η | 0.0023684 | Pa×s | 365.95 | Joback Calculated Property |
| η | 0.0007844 | Pa×s | 414.25 | Joback Calculated Property |
| η | 0.0003272 | Pa×s | 462.54 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 510.84 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 559.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclohexyl-2,2-dimethyl-1-propanol.
Sources
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