- InChI
- InChI=1S/C18H20/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
- InChI Key
- WLHJCCUFRCTNRZ-UHFFFAOYSA-N
- Formula
- C18H20
- SMILES
- c1ccc(C2(c3ccccc3)CCCCC2)cc1
- Molecular Weight1
- 236.35
- CAS
- 21113-55-3
- Other Names
-
- Cyclohexane, 1,1-diphenyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 171.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.99 | kJ/mol | Joback Calculated Property |
| IE | 8.90 ± 0.20 | eV | NIST |
| logPoct/wat | 4.937 | Crippen Calculated Property | |
| McVol | 206.100 | ml/mol | McGowan Calculated Property |
| Tboil | 612.51 | K | Relay (1.0) Calculated Property |
| Tfus | 387.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.77; 703.32] | 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 | -1.96880e+02 | |||
| Coefficient B | 1.97000e+00 | |||
| Coefficient C | -1.63140e-03 | |||
| Coefficient D | 5.61600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 320.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 397.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 516.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 563.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 603.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 639.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 671.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 703.32 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-cyclohexylidenebis-.
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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