- InChI
- InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
- InChI Key
- NOOLISFMXDJSKH-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CC1CCC(C(C)C)C(O)C1
- Molecular Weight1
- 156.27
- CAS
- 1490-04-6
- Other Names
-
- 2-Isopropyl-5-methylcyclohexanol
- 3-Hydroxy-p-menthane
- 3-p-Menthanol
- DL-menthol
- Menthol
- Menthyl alcohol
- p-Menthan-3-ol
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -347.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.440 | Crippen Calculated Property | |
| McVol | 146.770 | ml/mol | McGowan Calculated Property |
| Inp | [1155.00; 1171.00] |
|
|
| Inp | 1171.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Ip | [1534.00; 1631.00] |
|
|
| Ip | 1631.00 | NIST | |
| Ip | 1534.00 | NIST | |
| Ip | 1534.00 | NIST | |
| Tboil | 486.65 | K | Relay (1.0) Calculated Property |
| Tc | 685.53 | K | Relay (1.0) Calculated Property |
| Tfus | 308.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.22; 552.84] | 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 | -5.63200e+01 | |||
| Coefficient B | 1.06286e+00 | |||
| Coefficient C | -5.24000e-04 | |||
| Coefficient D | 7.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 312.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 444.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 478.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 507.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 532.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 552.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052132; 0.0001872] | Pa×s | [308.15; 503.96] |
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 | -1.38184e+01 | |||
| Coefficient B | 2.63834e+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. | 308.15 | |||
| Temperature range, max. | 503.96 | |||
| η | 0.0052132 | Pa×s | 308.15 | Calculated Property |
| η | 0.0029641 | Pa×s | 329.91 | Calculated Property |
| η | 0.0018073 | Pa×s | 351.66 | Calculated Property |
| η | 0.0011673 | Pa×s | 373.42 | Calculated Property |
| η | 0.0007911 | Pa×s | 395.18 | Calculated Property |
| η | 0.0005584 | Pa×s | 416.93 | Calculated Property |
| η | 0.0004080 | Pa×s | 438.69 | Calculated Property |
| η | 0.0003071 | Pa×s | 460.44 | Calculated Property |
| η | 0.0002371 | Pa×s | 482.20 | Calculated Property |
| η | 0.0001872 | Pa×s | 503.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 5-methyl-2-(1-methylethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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