- InChI
- InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
- InChI Key
- ZYTMANIQRDEHIO-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- C=C(C)C1CCC(C)CC1O
- Molecular Weight1
- 154.25
- CAS
- 50373-36-9
- Other Names
-
- Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1«alpha»,2«beta»,5«alpha»)-(.+/-.)-
- Isopulegol, (.+/-.)-
- 2-Isopropenyl-5-methylcyclohexanol, (1«alpha»,2«beta»,5«alpha»)-
- Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-
- (±)-(1«alpha»,2«beta»,5«alpha»)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol
- dl-isopulgeol
- 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.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfH°gas | -263.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.360 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Inp | [1159.00; 1167.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1159.00 | NIST | |
| I | [1606.00; 1606.00] |
|
|
| I | 1606.00 | NIST | |
| I | 1606.00 | NIST | |
| Tboil | 485.15 ± 1.00 | K | NIST |
| Tc | 683.07 | K | Relay (1.0) Calculated Property |
| Tfus | 288.13 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.82; 439.78] | J/mol×K | [527.35; 720.07] |
|
| Cp,gas | 350.82 | J/mol×K | 527.35 | Joback Calculated Property |
| Cp,gas | 367.62 | J/mol×K | 559.47 | Joback Calculated Property |
| Cp,gas | 383.61 | J/mol×K | 591.59 | Joback Calculated Property |
| Cp,gas | 398.80 | J/mol×K | 623.71 | Joback Calculated Property |
| Cp,gas | 413.22 | J/mol×K | 655.83 | Joback Calculated Property |
| Cp,gas | 426.87 | J/mol×K | 687.95 | Joback Calculated Property |
| Cp,gas | 439.78 | J/mol×K | 720.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dl-Isopulegol.
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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