- InChI
- InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
- InChI Key
- MQWCXKGKQLNYQG-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CC1CCC(O)CC1
- Molecular Weight1
- 114.19
- Other Names
-
- 1-Methyl-4-cyclohexanol
- 4-Methylcyclohexanol cis+trans
- 4-Methylcyclohexanol,c&t
- 4-methylcyclohexanol
- 4-methylcyclohexanol (cis+trans)
- 4-methylcyclohexanol, mixed isomers
- cis-4-Methylcyclohexanol
- cyclohexanol, 4-methyl- (cis+trans)
- p-Methylcyclohexanol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4709 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.90 | kJ/mol | NIST |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.88 | Aq. Solubility Prediction | |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Inp | [926.00; 941.00] |
|
|
| Inp | 929.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 929.00 | NIST | |
| Tboil | 445.20 | K | NIST |
| Tc | 634.87 | K | Relay (1.0) Calculated Property |
| Tfus | 263.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 202.10 | J/mol×K | 290.00 | NIST |
| γ | [0.03; 0.03] | N/m | [293.15; 323.15] |
|
| γ | 0.03 | N/m | 293.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
| γ | 0.03 | N/m | 298.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
| γ | 0.03 | N/m | 303.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
| γ | 0.03 | N/m | 308.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
| γ | 0.03 | N/m | 313.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
| γ | 0.03 | N/m | 318.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
| γ | 0.03 | N/m | 323.15 | Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.63; 390.87] | 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 | -5.78500e+01 | |||
| Coefficient B | 7.98420e-01 | |||
| Coefficient C | -4.13000e-04 | |||
| Coefficient D | 6.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 216.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 358.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 376.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 390.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0152972; 0.0002314] | Pa×s | [263.15; 461.56] |
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 | -1.39302e+01 | |||
| Coefficient B | 2.56573e+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. | 263.15 | |||
| Temperature range, max. | 461.56 | |||
| η | 0.0152972 | Pa×s | 263.15 | Calculated Property |
| η | 0.0071993 | Pa×s | 285.20 | Calculated Property |
| η | 0.0037752 | Pa×s | 307.24 | Calculated Property |
| η | 0.0021584 | Pa×s | 329.29 | Calculated Property |
| η | 0.0013237 | Pa×s | 351.33 | Calculated Property |
| η | 0.0008601 | Pa×s | 373.38 | Calculated Property |
| η | 0.0005863 | Pa×s | 395.43 | Calculated Property |
| η | 0.0004162 | Pa×s | 417.47 | Calculated Property |
| η | 0.0003058 | Pa×s | 439.52 | Calculated Property |
| η | 0.0002314 | Pa×s | 461.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 0.02] | N/m | [263.95; 446.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 4.79173e-02 | |||
| Coefficient B | -6.90000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 263.95 | |||
| Temperature range, max. | 446.15 | |||
| γ | 0.03 | N/m | 263.95 | Calculated Property |
| γ | 0.03 | N/m | 284.19 | Calculated Property |
| γ | 0.03 | N/m | 304.44 | Calculated Property |
| γ | 0.03 | N/m | 324.68 | Calculated Property |
| γ | 0.02 | N/m | 344.93 | Calculated Property |
| γ | 0.02 | N/m | 365.17 | Calculated Property |
| γ | 0.02 | N/m | 385.42 | Calculated Property |
| γ | 0.02 | N/m | 405.66 | Calculated Property |
| γ | 0.02 | N/m | 425.91 | Calculated Property |
| γ | 0.02 | N/m | 446.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 4-methyl-.
Mixtures
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).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Surface Properties of Pure Liquids and Binary Liquid Mixtures of Ethylene Glycol + Methylcyclohexanols
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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