- InChI
- InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2
- InChI Key
- NYEWDMNOXFGGDX-UHFFFAOYSA-N
- Formula
- C6H11ClO
- SMILES
- OC1CCCCC1Cl
- Molecular Weight1
- 134.60
- CAS
- 1561-86-0
- Other Names
-
- Cyclohexanol, 2-chloro-
- 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).
- 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 | -314.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.529 | Crippen Calculated Property | |
| McVol | 102.650 | ml/mol | McGowan Calculated Property |
| Inp | [1017.00; 1032.10] |
|
|
| Inp | 1032.10 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Ip | [1629.00; 1659.00] |
|
|
| Ip | 1629.00 | NIST | |
| Ip | 1658.00 | NIST | |
| Ip | 1658.00 | NIST | |
| Ip | 1659.00 | NIST | |
| Ip | 1629.00 | NIST | |
| Tboil | 470.21 | K | Relay (1.0) Calculated Property |
| Tfus | 293.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [122.82; 347.55] | 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 | -4.40500e+01 | |||
| Coefficient B | 7.10200e-01 | |||
| Coefficient C | -3.79000e-04 | |||
| Coefficient D | 6.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 162.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 257.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 281.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0353626; 0.0002420] | Pa×s | [251.26; 477.56] |
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 | -1.38606e+01 | |||
| Coefficient B | 2.64289e+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. | 251.26 | |||
| Temperature range, max. | 477.56 | |||
| η | 0.0353626 | Pa×s | 251.26 | Calculated Property |
| η | 0.0135825 | Pa×s | 276.40 | Calculated Property |
| η | 0.0061195 | Pa×s | 301.55 | Calculated Property |
| η | 0.0031172 | Pa×s | 326.69 | Calculated Property |
| η | 0.0017485 | Pa×s | 351.84 | Calculated Property |
| η | 0.0010595 | Pa×s | 376.98 | Calculated Property |
| η | 0.0006834 | Pa×s | 402.13 | Calculated Property |
| η | 0.0004642 | Pa×s | 427.27 | Calculated Property |
| η | 0.0003292 | Pa×s | 452.42 | Calculated Property |
| η | 0.0002420 | Pa×s | 477.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorocyclohexanol.
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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