- 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.
- Ip : 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 |
|---|---|---|---|
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.16 | 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 | |
| Ip | 2165.00 | NIST | |
| Tboil | 531.42 | K | Relay (1.0) Calculated Property |
| Tc | 728.48 | K | Relay (1.0) Calculated Property |
| Tfus | 362.82 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.57; 572.44] | 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 | -7.38200e+01 | |||
| Coefficient B | 1.21676e+00 | |||
| Coefficient C | -7.23000e-04 | |||
| Coefficient D | 1.52500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 382.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 426.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 465.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 499.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 527.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0261661; 0.0000695] | Pa×s | [325.42; 564.15] |
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 | -1.76579e+01 | |||
| Coefficient B | 4.56065e+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. | 325.42 | |||
| Temperature range, max. | 564.15 | |||
| η | 0.0261661 | Pa×s | 325.42 | Calculated Property |
| η | 0.0090994 | Pa×s | 351.95 | Calculated Property |
| η | 0.0036693 | Pa×s | 378.47 | Calculated Property |
| η | 0.0016666 | Pa×s | 405.00 | Calculated Property |
| η | 0.0008341 | Pa×s | 431.52 | Calculated Property |
| η | 0.0004523 | Pa×s | 458.05 | Calculated Property |
| η | 0.0002622 | Pa×s | 484.57 | Calculated Property |
| η | 0.0001609 | Pa×s | 511.10 | Calculated Property |
| η | 0.0001036 | Pa×s | 537.62 | Calculated Property |
| η | 0.0000695 | Pa×s | 564.15 | 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
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