- InChI
- InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
- InChI Key
- VSSAZBXXNIABDN-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- OCC1CCCCC1
- Molecular Weight1
- 114.19
- CAS
- 100-49-2
- Other Names
-
- (hydroxymethyl)cyclohexane
- Benzyl alcohol, hexahydro-
- Cyclohexanecarbinol
- Cyclohexylmethyl alcohol
- Methanol, cyclohexyl-
- NSC 5288
- USAF DO-49
- cyclohexylcarbinol
- cyclohexylmethanol
- hexahydrobenzyl alcohol
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ρl : Liquid Density (kg/m3).
- 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 | 0.5325 | Relay (1.0) Calculated Property | |
| PAff | 802.10 | kJ/mol | NIST |
| BasG | 771.70 | kJ/mol | NIST |
| ΔcH°liquid | -4377.30 | kJ/mol | NIST |
| ΔfG° | -104.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -378.00 | kJ/mol | NIST |
| ΔfusH° | 9.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.559 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Tboil | [454.20; 456.20] | K |
|
| Tboil | 454.20 | K | NIST |
| Tboil | 456.20 | K | NIST |
| Tc | 696.74 | K | Relay (1.0) Calculated Property |
| Tfus | 230.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.36; 384.21] | 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 | -6.37890e+01 | |||
| Coefficient B | 8.24900e-01 | |||
| Coefficient C | -4.68400e-04 | |||
| Coefficient D | 9.15000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 173.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 213.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 280.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 332.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 352.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 369.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 384.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1070065; 0.0002227] | Pa×s | [230.15; 465.06] |
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 | -1.44592e+01 | |||
| Coefficient B | 2.81342e+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. | 230.15 | |||
| Temperature range, max. | 465.06 | |||
| η | 0.1070065 | Pa×s | 230.15 | Calculated Property |
| η | 0.0308076 | Pa×s | 256.25 | Calculated Property |
| η | 0.0111656 | Pa×s | 282.35 | Calculated Property |
| η | 0.0048051 | Pa×s | 308.45 | Calculated Property |
| η | 0.0023586 | Pa×s | 334.55 | Calculated Property |
| η | 0.0012833 | Pa×s | 360.65 | Calculated Property |
| η | 0.0007581 | Pa×s | 386.76 | Calculated Property |
| η | 0.0004786 | Pa×s | 412.86 | Calculated Property |
| η | 0.0003192 | Pa×s | 438.96 | Calculated Property |
| η | 0.0002227 | Pa×s | 465.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanemethanol.
Mixtures
- Cyclohexanemethanol + Dodecane
- Cyclohexanemethanol + Cyclohexane, methyl-
- Cyclohexanemethanol + Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl-
- Cyclohexanemethanol + 1-Ethyladamantane
- Cyclohexanemethanol + 1,3,5-Trimethyladamantane
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)
- Crippen Method
- Crippen Method
- Partial molar volumes of organic solutes in water. XIX. Cyclic alcohols(aq) at T = (298 to 573) K and at pressures up to 30 MPa
- Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
- Density, Viscosity, and Freezing Point for Four Binary Systems of n-Dodecane or Methylcyclohexane Mixed with 1-Heptanol or Cyclohexylmethanol
- Density, Viscosity, Refractive Index, and Surface Tension for Six Binary Systems of Adamantane Derivatives with 1-Heptanol and Cyclohexylmethanol
- Partial Molar Volumes of Cyclic Alcohols at Infinite Dilution in Water at Temperatures T ) (298 to 373) K and Pressure of 0.5 MPa
- Joback Method
- McGowan Method
- NIST Webbook
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