- InChI
- InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m1/s1
- InChI Key
- AAIBYZBZXNWTPP-NEPJUHHUSA-N
- Formula
- C12H16O
- SMILES
- OC1CCCCC1c1ccccc1
- Molecular Weight1
- 176.25
- CAS
- 2362-61-0
- Other Names
-
- Cyclohexanol, 2-phenyl-, trans-
- (E)-2-Phenylcyclohexanol
- trans-2-phenylcyclohexanol
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -139.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.705 | Crippen Calculated Property | |
| McVol | 151.190 | ml/mol | McGowan Calculated Property |
| Tboil | 562.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.49; 486.17] | J/mol×K | [607.90; 828.81] | 
|
| Cp,gas | 398.49 | J/mol×K | 607.90 | Joback Calculated Property |
| Cp,gas | 415.86 | J/mol×K | 644.72 | Joback Calculated Property |
| Cp,gas | 432.07 | J/mol×K | 681.54 | Joback Calculated Property |
| Cp,gas | 447.17 | J/mol×K | 718.36 | Joback Calculated Property |
| Cp,gas | 461.18 | J/mol×K | 755.18 | Joback Calculated Property |
| Cp,gas | 474.17 | J/mol×K | 791.99 | Joback Calculated Property |
| Cp,gas | 486.17 | J/mol×K | 828.81 | Joback Calculated Property |
| η | [0.0000892; 0.0096489] | Pa×s | [315.38; 607.90] |
|
| η | 0.0096489 | Pa×s | 315.38 | Joback Calculated Property |
| η | 0.0026210 | Pa×s | 364.13 | Joback Calculated Property |
| η | 0.0009685 | Pa×s | 412.89 | Joback Calculated Property |
| η | 0.0004417 | Pa×s | 461.64 | Joback Calculated Property |
| η | 0.0002340 | Pa×s | 510.39 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 559.15 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 607.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 426.70 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to trans-2-Phenyl-1-cyclohexanol.
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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