- InChI
- InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
- InChI Key
- XDTMQSROBMDMFD-LBTWDOQPSA-N
- Formula
- C6H12
- SMILES
-
[2H]C1([2H])C([2H])([2H])C([2H
])([2H])C([2H])([2H])C([2H])([ 2H])C1([2H])[2H] - Molecular Weight1
- 96.24
- CAS
- 1735-17-7
- Other Names
-
- (^2H_12)cyclohexane
- [2H12]cyclohexane
- cyclohexane-2H12
- perdeuterated cyclohexane
- perdeuteriocyclohexane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 2.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.10 | kJ/mol | NIST |
| IE | [9.88; 9.93] | eV |
|
| IE | 9.90 ± 0.10 | eV | NIST |
| IE | 9.93 ± 0.15 | eV | NIST |
| IE | 9.88 | eV | NIST |
| IE | 9.91 ± 0.01 | eV | NIST |
| logPoct/wat | 2.341 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Inp | 661.00 | NIST | |
| S°liquid | 228.20 | J/mol×K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [92.38; 307.29] | 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 | -7.41100e+01 | |||
| Coefficient B | 7.22400e-01 | |||
| Coefficient C | -4.39000e-04 | |||
| Coefficient D | 9.80000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 92.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 130.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 164.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 194.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 221.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 244.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 263.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 280.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 307.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0175557; 0.0002552] | Pa×s | [169.00; 396.01] |
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 | -1.14232e+01 | |||
| Coefficient B | 1.24736e+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. | 169.00 | |||
| Temperature range, max. | 396.01 | |||
| η | 0.0175557 | Pa×s | 169.00 | Calculated Property |
| η | 0.0067320 | Pa×s | 194.22 | Calculated Property |
| η | 0.0032178 | Pa×s | 219.45 | Calculated Property |
| η | 0.0017909 | Pa×s | 244.67 | Calculated Property |
| η | 0.0011121 | Pa×s | 269.89 | Calculated Property |
| η | 0.0007492 | Pa×s | 295.11 | Calculated Property |
| η | 0.0005371 | Pa×s | 320.34 | Calculated Property |
| η | 0.0004042 | Pa×s | 345.56 | Calculated Property |
| η | 0.0003162 | Pa×s | 370.78 | Calculated Property |
| η | 0.0002552 | Pa×s | 396.01 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane-d12.
Mixtures
Sources
- 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
- Deuterium isotope effects in liquid liquid phase diagrams of aniline + cyclohexane mixtures
- Miscibility behavior of trihexyl(tetradecyl)phosphonium tetrafluoroborate with cyclic hydrocarbons
- Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
- Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
- Joback Method
- McGowan Method
- NIST Webbook
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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