- InChI
- InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
- InChI Key
- LMXFTMYMHGYJEI-IWSPIJDZSA-N
- Formula
- C10H20O2
- SMILES
- CC1CCC(C(C)(C)O)C(O)C1
- Molecular Weight1
- 172.26
- CAS
- 3564-98-5
- Other Names
-
- (1R,2R,5R)-2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol
- Cyclohexanemethanol, 2-hydroxy-«alpha»,«alpha»,4-trimethyl-, (1-«alpha»,2-«beta»,4-«beta»)-
- Menthoglycol
- Cyclohexanemethanol, 2-hydroxy-«alpha»,«alpha»,4-trimethyl-, (1R,2R,4E)-
- Isopulegol hydrate
- 8-Hydroxymenthol
- p-Menthane-3,8-diol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.554 | Crippen Calculated Property | |
| McVol | 152.640 | ml/mol | McGowan Calculated Property |
| Inp | [1301.00; 1301.00] |
|
|
| Inp | 1301.00 | NIST | |
| Inp | 1301.00 | NIST | |
| I | 2165.00 | NIST | |
| Tboil | 531.42 | K | Relay (1.0) Calculated Property |
| Tc | 730.23 | K | Relay (1.0) Calculated Property |
| Tfus | 364.04 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.77; 516.94] | J/mol×K | [619.54; 805.67] |
|
| Cp,gas | 438.77 | J/mol×K | 619.54 | Joback Calculated Property |
| Cp,gas | 453.75 | J/mol×K | 650.56 | Joback Calculated Property |
| Cp,gas | 467.92 | J/mol×K | 681.58 | Joback Calculated Property |
| Cp,gas | 481.29 | J/mol×K | 712.60 | Joback Calculated Property |
| Cp,gas | 493.90 | J/mol×K | 743.63 | Joback Calculated Property |
| Cp,gas | 505.77 | J/mol×K | 774.65 | Joback Calculated Property |
| Cp,gas | 516.94 | J/mol×K | 805.67 | Joback Calculated Property |
| η | [0.0000337; 0.0261661] | Pa×s | [325.42; 619.54] |
|
| η | 0.0261661 | Pa×s | 325.42 | Joback Calculated Property |
| η | 0.0041776 | Pa×s | 374.44 | Joback Calculated Property |
| η | 0.0010200 | Pa×s | 423.46 | Joback Calculated Property |
| η | 0.0003337 | Pa×s | 472.48 | Joback Calculated Property |
| η | 0.0001347 | Pa×s | 521.50 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 570.52 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 619.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Menthane-3,8-diol, cis-1,3,trans-1,4-.
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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